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CHEBI:207762 - Silybin B

ChEBI IDCHEBI:207762
ChEBI NameSilybin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O10
Net Charge0
Average Mass482.441
Monoisotopic Mass482.12130
SMILESCOc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO)ccc1O
InChIInChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
InChIKeySEBFKMXJBCUCAI-WAABAYLZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus iizukae (ncbitaxon:41901) - PubMed (24456525)
ChEBI Ontology
Outgoing Relation(s)
Silybin B (CHEBI:207762) is a flavonolignan (CHEBI:72709)
IUPAC Name 
(2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
1265998ChemSpider