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CHEBI:182783 - 2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

ChEBI IDCHEBI:182783
ChEBI Name2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@]12C(=C)CCC[C@]1(C)CC[C@@H](C(=C)C(=O)O)[C@@H]2O
InChIInChI=1S/C15H22O3/c1-9-5-4-7-15(3)8-6-11(10(2)14(17)18)13(16)12(9)15/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,13-,15+/m0/s1
InChIKeyQTSQCCVLTMKKDP-SFDCQRBFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid (CHEBI:182783) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
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