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CHEBI:193245 - 6-hydroxy-6-(hydroxymethyl)-1,1,4a-trimethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate

ChEBI IDCHEBI:193245
ChEBI Name6-hydroxy-6-(hydroxymethyl)-1,1,4a-trimethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESCC(=O)OC1CCC2(C)C(COc3ccc4ccc(=O)oc4c3)C(O)(CO)CCC2C1(C)C
InChIInChI=1S/C26H34O7/c1-16(28)32-22-10-11-25(4)20(24(22,2)3)9-12-26(30,15-27)21(25)14-31-18-7-5-17-6-8-23(29)33-19(17)13-18/h5-8,13,20-22,27,30H,9-12,14-15H2,1-4H3
InChIKeyAAMIVUKWTUICAA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-hydroxy-6-(hydroxymethyl)-1,1,4a-trimethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate (CHEBI:193245) is a coumarins (CHEBI:23403)
IUPAC Name 
[6-hydroxy-6-(hydroxymethyl)-1,1,4a-trimethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate