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CHEBI:209684 - 4-hydroxysesamin

ChEBI IDCHEBI:209684
ChEBI Name4-hydroxysesamin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILESOC1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12
InChIInChI=1S/C20H18O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-21H,7-9H2/t12-,17-,18+,19+,20?/m1/s1
InChIKeyAWLJZFUREZNLGG-RXABKWRFSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - DOI (10.1002/jccs.199500107)
ChEBI Ontology
Outgoing Relation(s)
4-hydroxysesamin (CHEBI:209684) is a lignan (CHEBI:25036)
IUPAC Name 
(3R,3aR,6R,6aS)-3,6-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-4-ol
Manual XrefsDatabases
26377603ChemSpider