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CHEBI:172609 - 11-Methylgerberinol

Default Structure
ChEBI IDCHEBI:172609
ChEBI Name11-Methylgerberinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O6
Net Charge0
Average Mass378.380
Monoisotopic Mass378.11034
SMILESCc1cccc2oc(=O)c(C(C)c3c(O)c4c(C)cccc4oc3=O)c(O)c12
InChIInChI=1S/C22H18O6/c1-10-6-4-8-13-15(10)19(23)17(21(25)27-13)12(3)18-20(24)16-11(2)7-5-9-14(16)28-22(18)26/h4-9,12,23-24H,1-3H3
InChIKeyDVOGDIBWOOVRGI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
11-Methylgerberinol (CHEBI:172609) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4-hydroxy-3-[1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)ethyl]-5-methylchromen-2-one
Manual XrefsDatabases
30777568ChemSpider
HMDB0041441HMDB