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CHEBI:184181 - Foetidin

ChEBI IDCHEBI:184181
ChEBI NameFoetidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O4
Net Charge0
Average Mass382.500
Monoisotopic Mass382.21441
SMILESC=C1CCC2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1cc(=O)oc2ccccc12
InChIInChI=1S/C24H30O4/c1-15-9-10-20-23(2,3)21(25)11-12-24(20,4)17(15)14-27-19-13-22(26)28-18-8-6-5-7-16(18)19/h5-8,13,17,20-21,25H,1,9-12,14H2,2-4H3/t17-,20?,21-,24+/m1/s1
InChIKeyWLYRUZQGIVCRDD-LYRWJQICSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
Foetidin (CHEBI:184181) is a coumarins (CHEBI:23403)
IUPAC Name 
4-[[(1R,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
Manual XrefsDatabases
13087175ChemSpider