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CHEBI:182922 - [(3aS,4S,5S,6E,11aR)-6-formyl-10-(hydroxymethyl)-4-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylprop-2-enoate

Default Structure
ChEBI IDCHEBI:182922
ChEBI Name[(3aS,4S,5S,6E,11aR)-6-formyl-10-(hydroxymethyl)-4-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylprop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
SMILES[H][C@@]12C=C(CO)CC/C=C(/C=O)[C@H](OC(=O)C(=C)C)[C@@H](OC)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C20H24O7/c1-11(2)19(23)27-17-14(10-22)7-5-6-13(9-21)8-15-16(18(17)25-4)12(3)20(24)26-15/h7-8,10,15-18,21H,1,3,5-6,9H2,2,4H3/b13-8?,14-7-/t15-,16+,17+,18+/m1/s1
InChIKeyQCTMSISXUVDOLP-ULQIITFPSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,5S,6E,11aR)-6-formyl-10-(hydroxymethyl)-4-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylprop-2-enoate (CHEBI:182922) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(3aS,4S,5S,6E,11aR)-6-ormyl-10-(hydroxymethyl)-4-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-5-yl] 2-methylprop-2-enoate