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CHEBI:181531 - methyl (2E)-2-[(4aR,8aS)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ylidene]-3-hydroxypropanoate

ChEBI IDCHEBI:181531
ChEBI Namemethyl (2E)-2-[(4aR,8aS)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ylidene]-3-hydroxypropanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILES[H][C@@]12C/C(=C(\CO)C(=O)OC)CC[C@@]1(C)CCCC2=C
InChIInChI=1S/C16H24O3/c1-11-5-4-7-16(2)8-6-12(9-14(11)16)13(10-17)15(18)19-3/h14,17H,1,4-10H2,2-3H3/b13-12+/t14-,16+/m0/s1
InChIKeyPMMWVYKBDULGDG-MJTSSRLASA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (2E)-2-[(4aR,8aS)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ylidene]-3-hydroxypropanoate (CHEBI:181531) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (2E)-2-[(4aR,8aS)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ylidene]-3-hydroxypropanoate
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