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CHEBI:200349 - Monocycloalternarene C

ChEBI IDCHEBI:200349
ChEBI NameMonocycloalternarene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESCO[C@@H]1C[C@H](O)C(O)=C(C/C=C(\C)CC/C=C(\C)CCCC(C)C(=O)O)C1=O
InChIInChI=1S/C22H34O6/c1-14(9-6-10-16(3)22(26)27)7-5-8-15(2)11-12-17-20(24)18(23)13-19(28-4)21(17)25/h7,11,16,18-19,23-24H,5-6,8-10,12-13H2,1-4H3,(H,26,27)/b14-7+,15-11+/t16?,18-,19+/m0/s1
InChIKeyXWHPUGPMFIXLGT-ABZLCCRESA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Monocycloalternarene C (CHEBI:200349) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(6E,10E)-12-[(3S,5R)-2,3-dihydroxy-5-methoxy-6-oxocyclohexen-1-yl]-2,6,10-trimethyldodeca-6,10-dienoic acid
Manual XrefsDatabases
30771198ChemSpider