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CHEBI:211122 - Communesin D

ChEBI IDCHEBI:211122
ChEBI NameCommunesin D
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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]6[C@@H]2OC2(C)C)[C@H]13
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-/m1/s1
InChIKeyBKJFWWFPUSKVTE-XJCYDXEVSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (14738391)
ChEBI Ontology
Outgoing Relation(s)
Communesin D (CHEBI:211122) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(2R,6S,14S,22S,25R)-25-[(2S)-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
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9378298ChemSpider