EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166647 - 3-O-Methylanhydrotuberosin

Default Structure
ChEBI IDCHEBI:166647
ChEBI Name3-O-Methylanhydrotuberosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O4
Net Charge0
Average Mass334.371
Monoisotopic Mass334.12051
SMILESCOc1ccc2c(c1)OCc1c-2oc2cc3c(cc12)C=CC(C)(C)O3
InChIInChI=1S/C21H18O4/c1-21(2)7-6-12-8-15-16-11-23-18-9-13(22-3)4-5-14(18)20(16)24-19(15)10-17(12)25-21/h4-10H,11H2,1-3H3
InChIKeySZUPCOMPPYQJSI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-Methylanhydrotuberosin (CHEBI:166647) is a pterocarpans (CHEBI:26377)
IUPAC Name 
17-methoxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,9,14(19),15,17-octaene
Manual XrefsDatabases
10443160ChemSpider
LMPK12070148LIPID MAPS