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CHEBI:182236 - [(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

ChEBI IDCHEBI:182236
ChEBI Name[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O8
Net Charge0
Average Mass406.431
Monoisotopic Mass406.16277
SMILES[H][C@@]12C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C21H26O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11-,14+,16-,17-,18+,21-/m0/s1
InChIKeyCOWWBPRRBQOULA-NABHEWRGSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate (CHEBI:182236) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]uran-4-yl] 2-methylprop-2-enoate
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