CHEBI:204396 - Purpuride B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Purpuride B
ChEBI ID CHEBI:204396
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H35NO6
Net Charge 0
Average Mass 421.534
Monoisotopic Mass 421.24644
InChI InChI=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
InChIKey LXAPSVSKXGPKKY-UTJZJXFBSA-N
SMILES O=C1OCC2=C1[C@H](OC)C[C@@H]3[C@@]2([C@@H](OC(=O)[C@@H](NC(=O)C)C(C)C)CCC3(C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78437135 ChemSpider
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