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CHEBI:9358 - Sumatrol

ChEBI IDCHEBI:9358
ChEBI NameSumatrol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H22O7
Net Charge0
Average Mass410.422
Monoisotopic Mass410.13655
SMILES[H][C@]1(C(=C)C)Cc2c(cc(O)c3c2O[C@]2([H])COc4cc(OC)c(OC)cc4[C@]2([H])C3=O)O1
InChIInChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1
InChIKeyZPEHYKMRUBEPSQ-XMCHAPAWSA-N
ChEBI Ontology
Outgoing Relation(s)
Sumatrol (CHEBI:9358) is a isoflavanones (CHEBI:38741)
Synonym  Source
SumatrolKEGG COMPOUND
Manual XrefsDatabases
C10532KEGG COMPOUND
C00002575KNApSAcK
Registry NumbersSources
CAS:82-10-0KEGG COMPOUND