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CHEBI:218623 - [(1S,2R,4aR,5R,8R,8aR)-1,8a-dihydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl] acetate

ChEBI IDCHEBI:218623
ChEBI Name[(1S,2R,4aR,5R,8R,8aR)-1,8a-dihydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@]2(O)[C@@H]1C=C(C)[C@@H](OC(C)=O)[C@@H]2O
InChIInChI=1S/C17H26O4/c1-9(2)13-7-6-11(4)17(20)14(13)8-10(3)15(16(17)19)21-12(5)18/h8,11,13-16,19-20H,1,6-7H2,2-5H3/t11-,13+,14-,15-,16+,17-/m1/s1
InChIKeyRXHIKAIVEMAPRU-JRIGQVHBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (26771621)
ChEBI Ontology
Outgoing Relation(s)
[(1S,2R,4aR,5R,8R,8aR)-1,8a-dihydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl] acetate (CHEBI:218623) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2R,4aR,5R,8R,8aR)-1,8a-dihydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl] acetate
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9544811ChemSpider