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CHEBI:172705 - 2,3-Dehydrosilybin

Default Structure
ChEBI IDCHEBI:172705
ChEBI Name2,3-Dehydrosilybin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H20O10
Net Charge0
Average Mass480.425
Monoisotopic Mass480.10565
SMILESCOc1cc(C2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1O
InChIInChI=1S/C25H20O10/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/h2-9,20,24,26-29,31H,10H2,1H3
InChIKeyBVKQRAYKLBRNIK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
2,3-Dehydrosilybin (CHEBI:172705) is a flavonolignan (CHEBI:72709)
IUPAC Name 
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Manual XrefsDatabases
4578204ChemSpider
HMDB0040513HMDB