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CHEBI:212136 - Penochalasin J

ChEBI IDCHEBI:212136
ChEBI NamePenochalasin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O3
Net Charge0
Average Mass498.667
Monoisotopic Mass498.28824
SMILESCC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC(=O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2cnc4ccccc24)[C@@H]3[C@@H]1C
InChIInChI=1S/C32H38N2O3/c1-19-8-7-9-24-16-21(3)22(4)30-28(17-23-18-33-27-11-6-5-10-26(23)27)34-31(37)32(24,30)29(36)13-12-25(35)15-20(2)14-19/h5-7,9-11,14,16,18-19,22,24,28,30,33H,8,12-13,15,17H2,1-4H3,(H,34,37)/b9-7+,20-14+/t19-,22+,24-,28-,30-,32+/m0/s1
InChIKeyMYTCOOYZKCVFJE-ZOHYDBOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (27690061)
ChEBI Ontology
Outgoing Relation(s)
Penochalasin J (CHEBI:212136) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,7E,9S,11E,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-2,5,20-trione
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58197351ChemSpider