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CHEBI:182844 - [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (E)-4-hydroxy-2-methylbut-2-enoate

ChEBI IDCHEBI:182844
ChEBI Name[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (E)-4-hydroxy-2-methylbut-2-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C(C)=C/CO)[C@@H]2C
InChIInChI=1S/C20H28O4/c1-12(2)16-11-20(5)14(4)18(7-6-15(20)10-17(16)22)24-19(23)13(3)8-9-21/h8,10,14,18,21H,6-7,9,11H2,1-5H3/b13-8+/t14-,18+,20+/m0/s1
InChIKeyNTPXWIICYLOOPF-IKIMRQNJSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (E)-4-hydroxy-2-methylbut-2-enoate (CHEBI:182844) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (E)-4-hydroxy-2-methylbut-2-enoate
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