CHEBI:207762 - Silybin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Silybin B
ChEBI ID CHEBI:207762
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H22O10
Net Charge 0
Average Mass 482.441
Monoisotopic Mass 482.12130
InChI InChI=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
InChIKey SEBFKMXJBCUCAI-WAABAYLZSA-N
SMILES O=C1C2=C(O[C@@H]([C@H]1O)C3=CC=4O[C@@H](C5=CC(OC)=C(O)C=C5)[C@H](CO)OC4C=C3)C=C(O)C=C2O
Metabolite of Species Details
Aspergillus iizukae (NCBI:txid41901) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
1265998 ChemSpider
View more database links