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CHEBI:222823 - WIN-64745

ChEBI IDCHEBI:222823
ChEBI NameWIN-64745
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38N6O4
Net Charge0
Average Mass630.749
Monoisotopic Mass630.29545
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2CC3(C45C[C@H]6C(=O)N[C@@H](Cc7ccccc7)C(=O)N6[C@H]4Nc4ccccc45)c4ccccc4N[C@@H]3N2C1=O
InChIInChI=1S/C37H38N6O4/c1-20(2)16-26-32(46)42-28(30(44)38-26)18-36(22-12-6-8-14-24(22)40-34(36)42)37-19-29-31(45)39-27(17-21-10-4-3-5-11-21)33(47)43(29)35(37)41-25-15-9-7-13-23(25)37/h3-15,20,26-29,34-35,40-41H,16-19H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,28-,29-,34+,35+,36?,37?/m0/s1
InChIKeyQQLUWDJRGUSAKT-PEFRYSBJSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1021/jo00074a031)
ChEBI Ontology
Outgoing Relation(s)
WIN-64745 (CHEBI:222823) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S)-4-benzyl-9-[(1R,4S,7S)-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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78438252ChemSpider