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 12 results

Search term: WEDFGJZTRYQXID (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
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
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
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
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
61714141

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
61714142

Charge

Double-bond stereo

17 of 17 defined stereocentres - 17/17 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
61714576

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
61714579

Charge

Double-bond stereo

13 of 17 defined stereocentres - 13/17 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
61715668

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
61716260

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
C62H92CoN13O14P1333.37952200
61716888

Charge

Double-bond stereo

17 of 17 defined stereocentres - 17/17 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

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