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CHEBI:205375 - Communesin B

Default Structure
ChEBI IDCHEBI:205375
ChEBI NameCommunesin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N4O2
Net Charge0
Average Mass508.666
Monoisotopic Mass508.28383
SMILESC/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]13)[C@@H]6C1OC1(C)C
InChIInChI=1S/C32H36N4O2/c1-5-6-7-15-24(37)35-18-16-31-21-12-8-9-13-22(21)33-28-32(31)17-19-36(29(31)35)26(27-30(2,3)38-27)20-11-10-14-23(25(20)32)34(28)4/h5-15,26-29,33H,16-19H2,1-4H3/b6-5+,15-7+/t26-,27?,28+,29+,31-,32-/m0/s1
InChIKeyXZFSMUXVAYCHFO-ZLLCTSSMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/s0040-4039(00)77612-x)
ChEBI Ontology
Outgoing Relation(s)
Communesin B (CHEBI:205375) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(2E,4E)-1-[(2S,6R,14R,22R,25S)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-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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74095766ChemSpider