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CHEBI:198511 - Scytonine

ChEBI IDCHEBI:198511
ChEBI NameScytonine
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FormulaC31H22N2O6
Net Charge0
Average Mass518.525
Monoisotopic Mass518.14779
SMILESCOC(=O)C1=C(c2c(/C(=C\c3ccc(O)cc3)C(=O)OC)nc3ccccc23)C(=O)c2nc3ccccc3c21
InChIInChI=1S/C31H22N2O6/c1-38-30(36)20(15-16-11-13-17(34)14-12-16)27-23(18-7-3-5-9-21(18)32-27)25-26(31(37)39-2)24-19-8-4-6-10-22(19)33-28(24)29(25)35/h3-15,32-34H,1-2H3/b20-15+
InChIKeyRBULROHCVWCNGA-HMMYKYKNSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (15104503)
ChEBI Ontology
Outgoing Relation(s)
Scytonine (CHEBI:198511) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
methyl 2-[2-[(E)-1-(4-hydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-1H-indol-3-yl]-3-oxo-4H-cyclopenta[b]indole-1-carboxylate
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8431535ChemSpider