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CHEBI:220906 - Communesin C

Default Structure
ChEBI IDCHEBI:220906
ChEBI NameCommunesin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34N4O3
Net Charge0
Average Mass522.649
Monoisotopic Mass522.26309
SMILESC/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C=O)c5cccc6c5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C
InChIInChI=1S/C32H34N4O3/c1-4-5-6-14-24(38)34-17-15-31-21-11-7-8-12-22(21)33-28-32(31)16-18-35(29(31)34)26(27-30(2,3)39-27)20-10-9-13-23(25(20)32)36(28)19-37/h4-14,19,26-29,33H,15-18H2,1-3H3/b5-4+,14-6+/t26-,27+,28+,29+,31-,32-/m0/s1
InChIKeyBKJFWWFPUSKVTE-NSUYYRTMSA-N
Species of MetaboliteComponentSourceComments
Penicillium expansum (ncbitaxon:27334) - PubMed (15056914)
ChEBI Ontology
Outgoing Relation(s)
Communesin C (CHEBI:220906) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(2E,4E)-hexa-2,4-dienoyl]-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-hexaene-15-carbaldehyde
Manual XrefsDatabases
24714037ChemSpider