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CHEBI:219105 - Oxaleimide B

ChEBI IDCHEBI:219105
ChEBI NameOxaleimide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO7
Net Charge0
Average Mass501.620
Monoisotopic Mass501.27265
SMILESC=C[C@H](CCCCC)[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@H]1[C@H]2[C@@H](C[C@H](C(=O)O)C[C@@H]2C)C[C@]1(O)C(=O)/C=C/C
InChIInChI=1S/C28H39NO7/c1-5-8-9-11-16(7-3)21-22(26(33)29-25(21)32)24(31)23-20-15(4)12-17(27(34)35)13-18(20)14-28(23,36)19(30)10-6-2/h6-7,10,15-18,20-23,36H,3,5,8-9,11-14H2,1-2,4H3,(H,34,35)(H,29,32,33)/b10-6+/t15-,16+,17+,18-,20+,21-,22+,23+,28-/m0/s1
InChIKeyZDFATJVUYACAIY-XKXOJCJYSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide B (CHEBI:219105) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,2R,3aS,5R,7S,7aR)-2-[(E)-but-2-enoyl]-2-hydroxy-7-methyl-1-[(3R,4S)-4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrolidine-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroindene-5-carboxylic acid