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

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ChEBI Name 6,7-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
ChEBI ID CHEBI:190828
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C26H34O7
Net Charge 0
Average Mass 458.551
Monoisotopic Mass 458.23045
InChI InChI=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
InChIKey MDKJNENNORHQNE-UHFFFAOYSA-N
SMILES OC1(C(C2(C(C(C(OC(=O)C)CC2)(C)C)CC1O)C)COC3=CC=4OC(=O)C=CC4C=C3)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
74886811 ChemSpider
HMDB0134771 HMDB
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