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CHEBI:190828 - 6,7-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate

ChEBI IDCHEBI:190828
ChEBI Name6,7-dihydroxy-1,1,4a,6-tetramethyl-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(CC(O)C(C)(O)C2COc2ccc3ccc(=O)oc3c2)C1(C)C
InChIInChI=1S/C26H34O7/c1-15(27)32-22-10-11-25(4)19(24(22,2)3)13-21(28)26(5,30)20(25)14-31-17-8-6-16-7-9-23(29)33-18(16)12-17/h6-9,12,19-22,28,30H,10-11,13-14H2,1-5H3
InChIKeyMDKJNENNORHQNE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6,7-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate (CHEBI:190828) is a coumarins (CHEBI:23403)
IUPAC Name 
[6,7-dihydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Manual XrefsDatabases
74886811ChemSpider
HMDB0134771HMDB