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CHEBI:214939 - Monocycloalternarene D

ChEBI IDCHEBI:214939
ChEBI NameMonocycloalternarene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCO[C@@H]1C[C@H](O)C(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O)C1=O
InChIInChI=1S/C22H32O6/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/h7,10-11,18-19,23-24H,5-6,8-9,12-13H2,1-4H3,(H,26,27)/b14-7+,15-11+,16-10+/t18-,19+/m0/s1
InChIKeySNQNGOWFRZYHQG-ZTRJIVFBSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Monocycloalternarene D (CHEBI:214939) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2E,6E,10E)-12-[(3S,5R)-2,3-dihydroxy-5-methoxy-6-oxocyclohexen-1-yl]-2,6,10-trimethyldodeca-2,6,10-trienoic acid
Manual XrefsDatabases
30771199ChemSpider