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CHEBI:182611 - [2,3-Dihydroxy-3,4a,8,8-tetramethyl-4-(3-oxobut-1-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

ChEBI IDCHEBI:182611
ChEBI Name[2,3-Dihydroxy-3,4a,8,8-tetramethyl-4-(3-oxobut-1-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCC(=O)C=CC1C(C)(O)C(O)C(OC(C)=O)C2C(C)(C)CCCC21C
InChIInChI=1S/C20H32O5/c1-12(21)8-9-14-19(5)11-7-10-18(3,4)16(19)15(25-13(2)22)17(23)20(14,6)24/h8-9,14-17,23-24H,7,10-11H2,1-6H3
InChIKeyBNOWPELKBYSHKU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[2,3-Dihydroxy-3,4a,8,8-tetramethyl-4-(3-oxobut-1-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate (CHEBI:182611) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2,3-dihydroxy-3,4a,8,8-tetramethyl-4-(3-oxobut-1-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate