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CHEBI:181623 - (1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

ChEBI IDCHEBI:181623
ChEBI Name(1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O3
Net Charge0
Average Mass280.408
Monoisotopic Mass280.20384
SMILES[H][C@]12CCCC[C@@]1([H])C=C(C)[C@@H](C[C@H](O)CC)[C@]2(C)C(=O)O
InChIInChI=1S/C17H28O3/c1-4-13(18)10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(19)20/h9,12-15,18H,4-8,10H2,1-3H3,(H,19,20)/t12-,13+,14-,15+,17+/m0/s1
InChIKeyHIVVBTLNCFFLPO-LVNYTYFRSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (CHEBI:181623) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,2R,4aS,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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