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CHEBI:208872 - (1R,4R,7S,9R)-4-(2-methylpropyl)-9-[(1R,4R,7S,9R)-4-(2-methylpropyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

ChEBI IDCHEBI:208872
ChEBI Name(1R,4R,7S,9R)-4-(2-methylpropyl)-9-[(1R,4R,7S,9R)-4-(2-methylpropyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N6O4
Net Charge0
Average Mass596.732
Monoisotopic Mass596.31110
SMILESCC(C)C[C@H]1NC(=O)[C@@H]2CC3([C@]45C[C@H]6C(=O)N[C@H](CC(C)C)C(=O)N6[C@H]4Nc4ccccc45)c4ccccc4N[C@@H]3N2C1=O
InChIInChI=1S/C34H40N6O4/c1-17(2)13-23-29(43)39-25(27(41)35-23)15-33(19-9-5-7-11-21(19)37-31(33)39)34-16-26-28(42)36-24(14-18(3)4)30(44)40(26)32(34)38-22-12-8-6-10-20(22)34/h5-12,17-18,23-26,31-32,37-38H,13-16H2,1-4H3,(H,35,41)(H,36,42)/t23-,24-,25+,26+,31-,32-,33+,34?/m1/s1
InChIKeyFBCYAKIWHXOUFS-DXVYXINDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus violaceofuscus (ncbitaxon:657443) - PubMed (29963550)
ChEBI Ontology
Outgoing Relation(s)
(1R,4R,7S,9R)-4-(2-methylpropyl)-9-[(1R,4R,7S,9R)-4-(2-methylpropyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione (CHEBI:208872) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4R,7S,9R)-4-(2-methylpropyl)-9-[(1R,4R,7S,9R)-4-(2-methylpropyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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