CHEBI:198334 - Berkedrimane 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 Berkedrimane B
ChEBI ID CHEBI:198334
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H33NO6
Net Charge 0
Average Mass 407.507
Monoisotopic Mass 407.23079
InChI InChI=1S/C22H33NO6/c1-12(2)17(23-13(3)24)19(26)29-16-9-10-20(4,5)15-8-7-14-18(25)28-11-22(14,27)21(15,16)6/h7,12,15-17,27H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,21+,22+/m0/s1
InChIKey DFGYGTWTXGTQIC-FIOCPMRGSA-N
SMILES O=C1OC[C@]2(C1=CC[C@H]3C(CC[C@@H]([C@]23C)OC(=O)[C@@H](NC(=O)C)C(C)C)(C)C)O
Metabolite of Species Details
Penicillium solitum (NCBI:txid60172) See: PubMed
ChEBI Ontology
Outgoing Berkedrimane B (CHEBI:198334) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5aS,9S,9aR,9bS)-9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-9-yl] (2S)-2-acetamido-3-methylbutanoate
Manual Xref Database
26333271 ChemSpider
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