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CHEBI:212061 - Benthocyanin C

Default Structure
ChEBI IDCHEBI:212061
ChEBI NameBenthocyanin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H29N3O3
Net Charge0
Average Mass491.591
Monoisotopic Mass491.22089
SMILESCC(C)=CCC/C(C)=C/CN1c2ccccc2N=c2c1c/c(=C(/C#N)c1ccccc1)c(O)c2C(=O)O
InChIInChI=1S/C31H29N3O3/c1-20(2)10-9-11-21(3)16-17-34-26-15-8-7-14-25(26)33-29-27(34)18-23(30(35)28(29)31(36)37)24(19-32)22-12-5-4-6-13-22/h4-8,10,12-16,18,35H,9,11,17H2,1-3H3,(H,36,37)/b21-16+,24-23+
InChIKeyANKGDXCFUIDTSP-BUUFFXLRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces prunicolor (ncbitaxon:67348) - DOI (10.1021/jo00067a069)
ChEBI Ontology
Outgoing Relation(s)
Benthocyanin C (CHEBI:212061) is a phenazines (CHEBI:39201)
IUPAC Name 
(3Z)-3-[cyano(phenyl)methylidene]-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxyphenazine-1-carboxylic acid