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CHEBI:198334 - Berkedrimane B

ChEBI IDCHEBI:198334
ChEBI NameBerkedrimane B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO6
Net Charge0
Average Mass407.507
Monoisotopic Mass407.23079
SMILESCC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@]3(O)[C@@]12C)C(C)C
InChIInChI=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
InChIKeyDFGYGTWTXGTQIC-FIOCPMRGSA-N
Species of MetaboliteComponentSourceComments
Penicillium solitum (ncbitaxon:60172) - PubMed (22276851)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
26333271ChemSpider