EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196980 - Isoaurmillone

ChEBI IDCHEBI:196980
ChEBI NameIsoaurmillone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESCOc1c(O)cc2occ(-c3ccc(OCC=C(C)C)cc3)c(=O)c2c1O
InChIInChI=1S/C21H20O6/c1-12(2)8-9-26-14-6-4-13(5-7-14)15-11-27-17-10-16(22)21(25-3)20(24)18(17)19(15)23/h4-8,10-11,22,24H,9H2,1-3H3
InChIKeyLWYWLXANIDATEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Isoaurmillone (CHEBI:196980) is a isoflavones (CHEBI:38757)
IUPAC Name 
5,7-dihydroxy-6-methoxy-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Manual XrefsDatabases
LMPK12050382LIPID MAPS
24842866ChemSpider