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CHEBI:200515 - (1S,4R,7R,9S)-9-[(1S,4R,7R,9S)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

ChEBI IDCHEBI:200515
ChEBI Name(1S,4R,7R,9S)-9-[(1S,4R,7R,9S)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38N6O4
Net Charge0
Average Mass582.705
Monoisotopic Mass582.29545
SMILESCC(C)C[C@H]1NC(=O)[C@H]2CC3([C@@]45C[C@@H]6C(=O)N[C@H](C(C)C)C(=O)N6[C@@H]4Nc4ccccc45)c4ccccc4N[C@H]3N2C1=O
InChIInChI=1S/C33H38N6O4/c1-16(2)13-22-28(42)38-23(26(40)34-22)14-32(18-9-5-7-11-20(18)35-30(32)38)33-15-24-27(41)37-25(17(3)4)29(43)39(24)31(33)36-21-12-8-6-10-19(21)33/h5-12,16-17,22-25,30-31,35-36H,13-15H2,1-4H3,(H,34,40)(H,37,41)/t22-,23-,24-,25-,30+,31+,32?,33-/m1/s1
InChIKeyJYRSHQHBOCBIJL-ZIFVHVPXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (15620260)
ChEBI Ontology
Outgoing Relation(s)
(1S,4R,7R,9S)-9-[(1S,4R,7R,9S)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione (CHEBI:200515) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,7R,9S)-9-[(1S,4R,7R,9S)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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