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CHEBI:181048 - 5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid

ChEBI IDCHEBI:181048
ChEBI Name5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC1=C(CCC(C)CC(=O)O)[C@@]2(C)CCCC(C)(C)C2CC1=O
InChIInChI=1S/C20H32O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h13,17H,6-12H2,1-5H3,(H,22,23)/t13?,17?,20-/m1/s1
InChIKeyBARZJLALPXZLMN-RJGDCVCESA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid (CHEBI:181048) is a diterpenoid (CHEBI:23849)
IUPAC Name 
5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid
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