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
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Found 3 results

Search term: VYHYYPSTYRXLPO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
90615807

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C48H76O19/c1-21-37(66-39-34(56)31(53)29(51)24(19-49)63-39)33(55)36(58)38(62-21)65-28-11-12-45(6)26(44(28,4)5)10-13-46(7)27(45)9-8-22-23-18-43(2,3)14-15-47(23,16-17-48(22,46)41(59)60)42(61)67-40-35(57)32(54)30(52)25(20-50)64-40/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23+,24-,25-,26?,27?,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,45+,46-,47+,48-/m1/s1
C48H76O19957.10565300
9518552

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O19/c1-21-37(66-39-34(56)31(53)29(51)24(19-49)63-39)33(55)36(58)38(62-21)65-28-11-12-45(6)26(44(28,4)5)10-13-46(7)27(45)9-8-22-23-18-43(2,3)14-15-47(23,16-17-48(22,46)41(59)60)42(61)67-40-35(57)32(54)30(52)25(20-50)64-40/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,45+,46-,47+,48-/m1/s1
C48H76O19957.10563200

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