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CHEBI:181184 - 2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

ChEBI IDCHEBI:181184
ChEBI Name2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESC=C(C(=O)O)C1CC(OC(=O)CC(C)CC)C2(C)CCCC(=C)C2C1
InChIInChI=1S/C21H32O4/c1-6-13(2)10-19(22)25-18-12-16(15(4)20(23)24)11-17-14(3)8-7-9-21(17,18)5/h13,16-18H,3-4,6-12H2,1-2,5H3,(H,23,24)
InChIKeyQVSFEOQJKPOOHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid (CHEBI:181184) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
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