Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 35 results

Search term: cobalamin (Found by synonym)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5256722

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
C62H88CoN13O14P1329.34787900
34987587

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-;/m0./s1
C62H88CoN13O14P1329.34783400
61710318

Charge

Double-bond stereo

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H92CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,28,31,34-37,39,41,50-53,56-57,77,85H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,39?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H92CoN13O14P1333.379522900
61710325

Charge

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51+,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H92CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,28,31,34-37,39,41,50-53,56-57,77,85H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,39?,41-,50?,51+,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H92CoN13O14P1333.37952400
61710326

Charge

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C62H94N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,31,34-38,41,50-53,56-57,70,76,84H,12-19,22,24-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51+,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H94CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,31,34-37,39,41,50-53,56-57,71,77,85H,12-19,22,24-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,39?,41-,50?,51+,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H94CoN13O14P1335.39542200
4942647

Charge

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2
C62H88CoN13O14P1329.34722200
61711504

Charge

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C62H93N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H93CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50?,51-,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H93CoN13O14P1334.38752200
61711983

Charge

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41-42,51-54,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b38-23-,50-32-,55-33-;/t31-,34-,35-,36-,37+,41-,42+,51?,52-,53-,54?,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H92CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,28,31,34-37,41-42,51-54,56-57,77,85H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,41-,42+,51?,52-,53-,54?,56-,57+,59-,60+,61+,62+/m1/s1
C62H92CoN13O14P1333.37952200
61712478

Charge

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38-,41-,50-,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H92CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,28,31,34-37,39,41,50-53,56-57,77,85H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,39-,41-,50-,51?,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H92CoN13O14P1333.37952200
61712609

Charge

Double-bond stereo

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C62H93N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H93CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H93CoN13O14P1334.387521000
61712620

Charge

Double-bond stereo

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C45H69N11O7.Co/c1-21-36-24(10-13-30(47)58)41(3,4)28(54-36)18-27-23(9-12-29(46)57)43(6,19-34(51)62)39(53-27)22(2)37-25(11-14-31(48)59)44(7,20-35(52)63)45(8,56-37)40-26(17-33(50)61)42(5,38(21)55-40)16-15-32(49)60;/h18,23-27,36-37,40H,9-17,19-20H2,1-8H3,(H2,46,57)(H2,47,58)(H2,48,59)(H2,49,60)(H2,50,61)(H2,51,62)(H2,52,63);/q-4;+4/b28-18-,38-21-,39-22-;/t23-,24-,25-,26+,27?,36?,37?,40-,42-,43+,44+,45+;/m1./s1/rC45H69CoN11O7/c1-21-36-24(10-13-30(48)59)41(3,4)28-18-27-23(9-12-29(47)58)43(6,19-34(52)63)39-22(2)37-25(11-14-31(49)60)44(7,20-35(53)64)45(8)40-26(17-33(51)62)42(5,16-15-32(50)61)38(21)56(40)46(54(27)39,55(28)36)57(37)45/h18,23-27,36-37,40H,9-17,19-20H2,1-8H3,(H2,47,58)(H2,48,59)(H2,49,60)(H2,50,61)(H2,51,62)(H2,52,63)(H2,53,64)/t23-,24-,25-,26+,27?,36?,37?,40-,42-,43+,44+,45+/m1/s1
C45H69CoN11O7935.03212200
61712988

Charge

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38-,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H92CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,28,31,34-37,39,41,50-53,56-57,77,85H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,39-,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H92CoN13O14P1333.37952300
61712990

Charge

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C62H93N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51+,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H93CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50?,51+,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H93CoN13O14P1334.38752400
61713392

Charge

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;+4/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38-,41-,50?,51-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H92CoN13O14P/c1-29-20-38-40(21-30(29)2)72(28-71-38)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)39-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(73(39)55,74(42)50)76(51)62/h20-21,23,28,31,34-37,39,41,50-53,56-57,77,85H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,39-,41-,50?,51-,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H92CoN13O14P1333.37952300
61713853

Charge

Double-bond stereo

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C62H93N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50-,51+,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H93CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50-,51+,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H93CoN13O14P1334.38751200
61712989

Charge

Double-bond stereo

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C62H91N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,26,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-25,27-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-,69-26?;/t31-,34-,35-,36-,37+,38?,41-,50-,51+,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H91CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,26,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-25,27-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50-,51+,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H91CoN13O14P1332.37161100
61712987

Charge

Double-bond stereo

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C62H91N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,26,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-25,27-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-,69-26?;/t31-,34-,35-,36-,37+,38?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H91CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,26,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-25,27-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H91CoN13O14P1332.37161200
4573816

Charge

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
C62H88CoN13O14P1329.34891200
10145663

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C62H88N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/b42-23-,54-32-,55-33-;
C62H88CoN13O14P1329.34781100
61711105

Charge

Double-bond stereo

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C62H93N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-28H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-5;+5/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50-,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/rC62H93CoN13O14P/c1-29-20-39-40(21-30(29)2)72-28-71(39)57-52(85)53(41(27-77)88-57)90-91(86,87)89-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51-33(5)55-60(9,24-47(68)82)34(12-15-43(64)78)38-23-42-58(6,7)35(13-16-44(65)79)50-32(4)54(59)75(56)63(72,73(38)55,74(42)50)76(51)62/h20-21,23,31,34-38,41,50-53,56-57,77,85H,12-19,22,24-28H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,86,87)/t31-,34-,35-,36-,37+,38?,41-,50-,51?,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1
C62H93CoN13O14P1334.38751300
12

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