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CHEBI:208767 - (1S,4R,7R,9R)-4-benzyl-9-[(1S,4S,7R,9S)-4-benzyl-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:208767
ChEBI Name(1S,4R,7R,9R)-4-benzyl-9-[(1S,4S,7R,9S)-4-benzyl-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
FormulaC40H36N6O4
Net Charge0
Average Mass664.766
Monoisotopic Mass664.27980
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@@H]1CC1([C@]34C[C@@H]5C(=O)N[C@H](Cc6ccccc6)C(=O)N5[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]21
InChIInChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30+,31-,32-,37+,38+,39+,40?/m1/s1
InChIKeyZEANERNKMXBETI-XNBDDJIVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28786310)
ChEBI Ontology
Outgoing Relation(s)
(1S,4R,7R,9R)-4-benzyl-9-[(1S,4S,7R,9S)-4-benzyl-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:208767) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,7R,9R)-4-benzyl-9-[(1S,4S,7R,9S)-4-benzyl-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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