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CHEBI:199573 - Brevicompanine H

ChEBI IDCHEBI:199573
ChEBI NameBrevicompanine H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O3
Net Charge0
Average Mass409.530
Monoisotopic Mass409.23654
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N3[C@@H]1N(C(=O)CC)c1ccccc12
InChIInChI=1S/C24H31N3O3/c1-7-18(28)26-16-12-10-9-11-15(16)24(23(5,6)8-2)13-17-20(29)25-19(14(3)4)21(30)27(17)22(24)26/h8-12,14,17,19,22H,2,7,13H2,1,3-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
InChIKeyBBDIFTVRYQWOJP-UNBWHIKDSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (19652417)
ChEBI Ontology
Outgoing Relation(s)
Brevicompanine H (CHEBI:199573) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,9R)-9-(2-methylbut-3-en-2-yl)-16-propanoyl-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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78436513ChemSpider