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CHEBI:48530 - fumagalone

Default Structure
ChEBI IDCHEBI:48530
ChEBI Namefumagalone
Stars
Last Modified17 October 2009
Submitterhcourrier
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILES[H]C(=O)[C@@]1(O)CCC(=O)[C@@H](OC)[C@]1([H])[C@@]1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C16H24O5/c1-10(2)5-6-12-15(3,21-12)14-13(20-4)11(18)7-8-16(14,19)9-17/h5,9,12-14,19H,6-8H2,1-4H3/t12-,13-,14-,15+,16+/m1/s1
InChIKeyUKNNCBXEELDDCU-SUJAAXHWSA-N
ChEBI Ontology
Outgoing Relation(s)
fumagalone (CHEBI:48530) has functional parent cyclohexanone (CHEBI:17854)
fumagalone (CHEBI:48530) is a aldehyde (CHEBI:17478)
fumagalone (CHEBI:48530) is a sesquiterpenoid (CHEBI:26658)
Incoming Relation(s)
(1R,2S,3S,4S)-4-formyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexyl (2E)-3-(4-methoxyphenyl)acrylate (CHEBI:48414) has functional parent fumagalone (CHEBI:48530)
(1S,2S,3S)-3-methoxy-2-[(2E)-6-methylhept-2-en-2-yl]-4-oxocyclohexanecarbaldehyde (CHEBI:48411) has functional parent fumagalone (CHEBI:48530)
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone (CHEBI:48412) has functional parent fumagalone (CHEBI:48530)
(2S,3S,4S)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48415) has functional parent fumagalone (CHEBI:48530)
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48410) has functional parent fumagalone (CHEBI:48530)
(2S,3S,4S)-4-acetyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48413) has functional parent fumagalone (CHEBI:48530)
IUPAC Name 
(1R,2S,3S)-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-4-oxocyclohexanecarbaldehyde
Manual XrefsDatabases
FR2872511Patent
Registry NumbersSources
Beilstein:9500651Beilstein