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CHEBI:223282 - (1R,2R,3S,8aR)-7-Acetyl-1,2,3,4,8,8a-hexahydro-3,6-dihydroxy-1,8a-dimethylnaphthalen-2-yl acetate

ChEBI IDCHEBI:223282
ChEBI Name(1R,2R,3S,8aR)-7-Acetyl-1,2,3,4,8,8a-hexahydro-3,6-dihydroxy-1,8a-dimethylnaphthalen-2-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCC(=O)O[C@H]1[C@@H](O)CC2=CC(O)=C(C(C)=O)C[C@]2(C)[C@H]1C
InChIInChI=1S/C16H22O5/c1-8-15(21-10(3)18)14(20)6-11-5-13(19)12(9(2)17)7-16(8,11)4/h5,8,14-15,19-20H,6-7H2,1-4H3/t8-,14-,15+,16+/m0/s1
InChIKeyDQUXTQMGQIEXIK-VCVMDOMWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25044593)
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,3S,8aR)-7-Acetyl-1,2,3,4,8,8a-hexahydro-3,6-dihydroxy-1,8a-dimethylnaphthalen-2-yl acetate (CHEBI:223282) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,3S,8aR)-7-acetyl-3,6-dihydroxy-1,8a-dimethyl-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] acetate
Manual XrefsDatabases
78441406ChemSpider