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 3 results

Search term: JMQANMQRQDNDDA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8994285

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C41H70O13/c1-19(9-10-26(37(5,6)50)53-34-31(48)29(46)23(43)17-51-34)21-11-12-39(8)33-22(42)15-24-36(3,4)27(54-35-32(49)30(47)28(45)20(2)52-35)16-25(44)41(24)18-40(33,41)14-13-38(21,39)7/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21?,22+,23-,24?,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,38-,39+,40+,41-/m1/s1
C41H70O13770.98672100
28286129

11 of 21 defined stereocentres - 11/21 defined
InChI=1/C41H70O13/c1-19(9-10-26(37(5,6)50)53-34-31(48)29(46)23(43)17-51-34)21-11-12-39(8)33-22(42)15-24-36(3,4)27(54-35-32(49)30(47)28(45)20(2)52-35)16-25(44)41(24)18-40(33,41)14-13-38(21,39)7/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21?,22?,23?,24?,25+,26?,27?,28?,29+,30-,31?,32-,33?,34+,35?,38-,39+,40+,41-/m1/s1
C41H70O13770.98671100
4509073

9 of 21 defined stereocentres - 9/21 defined
InChI=1/C41H70O13/c1-19(9-10-26(37(5,6)50)53-34-31(48)29(46)23(43)17-51-34)21-11-12-39(8)33-22(42)15-24-36(3,4)27(54-35-32(49)30(47)28(45)20(2)52-35)16-25(44)41(24)18-40(33,41)14-13-38(21,39)7/h19-35,42-50H,9-18H2,1-8H3/t19-,20?,21?,22+,23?,24?,25+,26+,27+,28?,29?,30?,31?,32?,33?,34?,35?,38-,39+,40+,41-/m1/s1
C41H70O13770.98671100

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