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CHEBI:219092 - Oxaleimide C

ChEBI IDCHEBI:219092
ChEBI NameOxaleimide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO7
Net Charge0
Average Mass499.604
Monoisotopic Mass499.25700
SMILESC/C=C/C(=O)[C@@]1(O)C[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@H]2[C@@H]1C1=C2C(=O)NC(=O)C2=C(CCCCC)C(C)O1
InChIInChI=1S/C28H37NO7/c1-5-7-8-10-18-15(4)36-24(22-21(18)25(31)29-26(22)32)23-20-14(3)11-16(27(33)34)12-17(20)13-28(23,35)19(30)9-6-2/h6,9,14-17,20,23,35H,5,7-8,10-13H2,1-4H3,(H,33,34)(H,29,31,32)/b9-6+/t14-,15?,16+,17-,20+,23+,28-/m0/s1
InChIKeyUSMNCSQHYGXZNF-QIXKEHPWSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide C (CHEBI:219092) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,2R,3aS,5R,7S,7aR)-2-[(E)-but-2-enoyl]-2-hydroxy-7-methyl-1-(6-methyl-1,3-dioxo-7-pentyl-6H-pyrano[3,4-c]pyrrol-4-yl)-1,3,3a,4,5,6,7,7a-octahydroindene-5-carboxylic acid