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CHEBI:214835 - Isochaetoglobosin J

ChEBI IDCHEBI:214835
ChEBI NameIsochaetoglobosin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O4
Net Charge0
Average Mass512.650
Monoisotopic Mass512.26751
SMILESCC1=C[C@@H](C)CC=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4cnc5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1=O
InChIInChI=1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29,33H,8,12-13,16H2,1-4H3,(H,34,38)/t18-,21+,23-,26-,29-,32+/m0/s1
InChIKeyDWPNLDBISFNQGI-NJHZBBGFSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1039/p19920002949)
ChEBI Ontology
Outgoing Relation(s)
Isochaetoglobosin J (CHEBI:214835) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,9S,13S,16S,17R,18S)-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,5,6,20-tetrone