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CHEBI:215271 - 3-[(1S,2S,4aR,6S,8aS)-6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid

ChEBI IDCHEBI:215271
ChEBI Name3-[(1S,2S,4aR,6S,8aS)-6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@H]1C=C[C@H]2C[C@@](C)(O)CC[C@@H]2[C@H]1CCC(=O)O
InChIInChI=1S/C15H24O3/c1-10-3-4-11-9-15(2,18)8-7-13(11)12(10)5-6-14(16)17/h3-4,10-13,18H,5-9H2,1-2H3,(H,16,17)/t10-,11-,12-,13-,15-/m0/s1
InChIKeyJCBGMXDVXDFMAS-CXOVXGEYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29132077)
ChEBI Ontology
Outgoing Relation(s)
3-[(1S,2S,4aR,6S,8aS)-6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid (CHEBI:215271) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
3-[(1S,2S,4aR,6S,8aS)-6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid
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