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CHEBI:219750 - Chejuenolide A

ChEBI IDCHEBI:219750
ChEBI NameChejuenolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO4
Net Charge0
Average Mass387.520
Monoisotopic Mass387.24096
SMILESCC(=O)N[C@H]1/C=C(C)/C=C/[C@H](O)C/C=C(C)/C=C/[C@@H](O)C/C=C(\C)C(=O)[C@@H]1C
InChIInChI=1S/C23H33NO4/c1-15-6-10-20(26)12-8-16(2)14-22(24-19(5)25)18(4)23(28)17(3)9-13-21(27)11-7-15/h6-9,11-12,14,18,20-22,26-27H,10,13H2,1-5H3,(H,24,25)/b11-7+,12-8+,15-6+,16-14+,17-9+/t18-,20-,21-,22+/m1/s1
InChIKeyUTURGGMCWRWPTG-YOFHZKFDSA-N
Species of MetaboliteComponentSourceComments
Hahella chejuensis (ncbitaxon:158327) - DOI (10.1016/j.tetlet.2008.09.143)
ChEBI Ontology
Outgoing Relation(s)
Chejuenolide A (CHEBI:219750) is a acetamides (CHEBI:22160)
IUPAC Name 
N-[(1S,2E,4E,6R,8E,10E,12S,14E,17R)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]acetamide
Manual XrefsDatabases
27023447ChemSpider