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CHEBI:179851 - Macrocarposide

ChEBI IDCHEBI:179851
ChEBI NameMacrocarposide
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FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILES[H][C@@]1(c2c(O)cc3c(c2O)C(=O)C(c2ccc(O)cc2O)CO3)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C21H22O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)9(6-31-12)8-2-1-7(23)3-10(8)24/h1-4,9,13,17,19-25,27-30H,5-6H2/t9?,13?,17-,19+,20?,21+/m1/s1
InChIKeyCGRZFWSCUINYCK-YACAPDLPSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrocarposide (CHEBI:179851) is a C-glycosyl compound (CHEBI:20857)
Macrocarposide (CHEBI:179851) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12050478LIPID MAPS
24842918ChemSpider