EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172592 - Gerberinol

ChEBI IDCHEBI:172592
ChEBI NameGerberinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O6
Net Charge0
Average Mass364.353
Monoisotopic Mass364.09469
SMILESCc1cccc2oc(=O)c(Cc3c(O)c4c(C)cccc4oc3=O)c(O)c12
InChIInChI=1S/C21H16O6/c1-10-5-3-7-14-16(10)18(22)12(20(24)26-14)9-13-19(23)17-11(2)6-4-8-15(17)27-21(13)25/h3-8,22-23H,9H2,1-2H3
InChIKeyJUCUEMBIORWHSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Gerberinol (CHEBI:172592) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4-hydroxy-3-[(4-hydroxy-5-methyl-2-oxochromen-3-yl)methyl]-5-methylchromen-2-one
Manual XrefsDatabases
HMDB0033304HMDB
30776991ChemSpider