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CHEBI:200587 - Purpuride C

ChEBI IDCHEBI:200587
ChEBI NamePurpuride C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO5
Net Charge0
Average Mass389.492
Monoisotopic Mass389.22022
SMILESCC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC=C3[C@@]12C)C(C)C
InChIInChI=1S/C22H31NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h7,11-12,16-18H,8-10H2,1-6H3,(H,23,24)/t16-,17-,18-,22+/m0/s1
InChIKeyKNIWRLJEMCZTRC-VDNWNZSNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23847064)
ChEBI Ontology
Outgoing Relation(s)
Purpuride C (CHEBI:200587) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5aS,9S,9aS)-6,6,9a-trimethyl-3-oxo-5a,7,8,9-tetrahydro-5H-benzo[e][2]benzouran-9-yl] (2S)-2-acetamido-3-methylbutanoate
Manual XrefsDatabases
78436635ChemSpider