CHEBI:224280 - Proversilin C

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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 Proversilin C
ChEBI ID CHEBI:224280
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H33NO5
Net Charge 0
Average Mass 439.552
Monoisotopic Mass 439.23587
InChI InChI=1S/C26H33NO5/c1-16(28)27-21(17-8-6-5-7-9-17)12-23(29)32-18-13-25(2,3)22-11-10-19-20(15-31-24(19)30)26(22,4)14-18/h5-9,18,21-22H,10-15H2,1-4H3,(H,27,28)/t18-,21-,22+,26-/m1/s1
InChIKey HNINPXQNFOXVGW-TXDLGXNGSA-N
SMILES O=C1OCC2=C1CC[C@@H]3[C@@]2(C[C@H](OC(=O)C[C@@H](NC(=O)C)C4=CC=CC=C4)CC3(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Proversilin C (CHEBI:224280) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5aS,8R,9aS)-6,6,9a-trimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-8-yl] (3R)-3-acetamido-3-phenylpropanoate
Manual Xref Database
113385663 ChemSpider
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