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CHEBI:174645 - Isoachifolidiene

ChEBI IDCHEBI:174645
ChEBI NameIsoachifolidiene
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SubmitterMetaboLights
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FormulaC20H24O5
Net Charge0
Average Mass344.407
Monoisotopic Mass344.16237
SMILES[H][C@]12C(C)=CC=C1[C@](C)(O)[C@H](OC(=O)/C(C)=C/C)C[C@@]1([H])C(=C)C(=O)O[C@]21[H]
InChIInChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+/t13-,15+,16-,17-,20-/m0/s1
InChIKeyITEVGBFEXWVGSM-UFMIZAGJSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoachifolidiene (CHEBI:174645) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(3aS,5R,6S,9aS,9bS)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]uran-5-yl] (E)-2-methylbut-2-enoate