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CHEBI:212702 - Communesin J

ChEBI IDCHEBI:212702
ChEBI NameCommunesin J
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FormulaC32H36N4O
Net Charge0
Average Mass492.667
Monoisotopic Mass492.28891
SMILESC/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]6C=C(C)C)[C@@H]13
InChIInChI=1S/C32H36N4O/c1-5-6-7-15-27(37)36-19-16-31-23-12-8-9-13-24(23)33-29-32(31)17-18-35(30(31)36)26(20-21(2)3)22-11-10-14-25(28(22)32)34(29)4/h5-15,20,26,29-30,33H,16-19H2,1-4H3/b6-5+,15-7+/t26-,29-,30+,31+,32+/m1/s1
InChIKeyIQVIOXLNMXZRPP-MCNCHUQJSA-N
Species of MetaboliteComponentSourceComments
Penicillium expansum (ncbitaxon:27334) - PubMed (25571861)
ChEBI Ontology
Outgoing Relation(s)
Communesin J (CHEBI:212702) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(2E,4E)-1-[(2S,6R,14R,22R,25R)-15-methyl-25-(2-methylprop-1-enyl)-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]hexa-2,4-dien-1-one
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58197328ChemSpider