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CHEBI:197809 - Chaetocochin J

ChEBI IDCHEBI:197809
ChEBI NameChaetocochin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30N6O6S4
Net Charge0
Average Mass710.885
Monoisotopic Mass710.11097
SMILESCN1C(=O)C2=CC3(n4cc(C[C@@]56SSSS[C@@](CO)(C(=O)N5C)N(C)C6=O)c5ccccc54)c4ccccc4N[C@@H]3N2C(=O)C1CO
InChIInChI=1S/C31H30N6O6S4/c1-33-23(15-38)25(41)37-22(24(33)40)13-29(19-9-5-6-10-20(19)32-26(29)37)36-14-17(18-8-4-7-11-21(18)36)12-30-27(42)35(3)31(16-39,28(43)34(30)2)45-47-46-44-30/h4-11,13-14,23,26,32,38-39H,12,15-16H2,1-3H3/t23?,26-,29?,30+,31+/m1/s1
InChIKeyDNOIOYRQDAJQMV-QMKBPJJVSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (26125976)
ChEBI Ontology
Outgoing Relation(s)
Chaetocochin J (CHEBI:197809) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,6S)-1-(hydroxymethyl)-6-[[1-[(1R)-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraen-9-yl]indol-3-yl]methyl]-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione
Manual XrefsDatabases
59000439ChemSpider