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CHEBI:182060 - (3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

ChEBI IDCHEBI:182060
ChEBI Name(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O3
Net Charge0
Average Mass324.505
Monoisotopic Mass324.26645
SMILESC[C@@H](CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O)CC(=O)O
InChIInChI=1S/C20H36O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14-,15?,16+,19-,20+/m0/s1
InChIKeyKHCCSRVJJDOANA-ZOSGAXDSSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid (CHEBI:182060) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
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