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CHEBI:220523 - Brevicompanine D

ChEBI IDCHEBI:220523
ChEBI NameBrevicompanine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33N3O3
Net Charge0
Average Mass411.546
Monoisotopic Mass411.25219
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(COC)c1ccccc12
InChIInChI=1S/C24H33N3O3/c1-7-23(4,5)24-13-19-20(28)25-17(12-15(2)3)21(29)27(19)22(24)26(14-30-6)18-11-9-8-10-16(18)24/h7-11,15,17,19,22H,1,12-14H2,2-6H3,(H,25,28)/t17-,19-,22-,24+/m0/s1
InChIKeyXKVYLKJFRXEXTN-UNBWHIKDSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (19652417)
ChEBI Ontology
Outgoing Relation(s)
Brevicompanine D (CHEBI:220523) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4S,7S,9R)-16-(methoxymethyl)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
28286641ChemSpider