CHEBI:175751 - Sesamolin

ChEBI IDCHEBI:175751
ChEBI NameSesamolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILES[H][C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1([H])CO[C@@H]2Oc1ccc2c(c1)OCO2
InChIInChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
InChIKeyZZMNWJVJUKMZJY-AFHBHXEDSA-N
ChEBI Ontology
Outgoing Relation(s)
Sesamolin (CHEBI:175751) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]oxy]-1,3-benzodioxole
Manual XrefsDatabases
91932ChemSpider
Registry NumbersSources
CAS:526-07-8ChemIDplus