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CHEBI:204396 - Purpuride B

ChEBI IDCHEBI:204396
ChEBI NamePurpuride B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO6
Net Charge0
Average Mass421.534
Monoisotopic Mass421.24644
SMILESCO[C@@H]1C[C@H]2C(C)(C)CC[C@H](OC(=O)[C@@H](NC(C)=O)C(C)C)[C@]2(C)C2=C1C(=O)OC2
InChIInChI=1S/C23H35NO6/c1-12(2)19(24-13(3)25)21(27)30-17-8-9-22(4,5)16-10-15(28-7)18-14(23(16,17)6)11-29-20(18)26/h12,15-17,19H,8-11H2,1-7H3,(H,24,25)/t15-,16+,17+,19+,23-/m1/s1
InChIKeyLXAPSVSKXGPKKY-UTJZJXFBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23847064)
ChEBI Ontology
Outgoing Relation(s)
Purpuride B (CHEBI:204396) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(4R,5aS,9S,9aS)-4-methoxy-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-9-yl] (2S)-2-acetamido-3-methylbutanoate
Manual XrefsDatabases
78437135ChemSpider