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CHEBI:203081 - Benthocyanin A

ChEBI IDCHEBI:203081
ChEBI NameBenthocyanin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28N2O4
Net Charge0
Average Mass492.575
Monoisotopic Mass492.20491
SMILESCC(C)=CCCC(C)=CCn1c2cc3c(-c4ccccc4)c(=O)oc3cc2nc2c(C(=O)O)cccc21
InChIInChI=1S/C31H28N2O4/c1-19(2)9-7-10-20(3)15-16-33-25-14-8-13-22(30(34)35)29(25)32-24-18-27-23(17-26(24)33)28(31(36)37-27)21-11-5-4-6-12-21/h4-6,8-9,11-15,17-18H,7,10,16H2,1-3H3,(H,34,35)
InChIKeyKRDKFSFTOURVBO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces prunicolor (ncbitaxon:67348) - DOI (10.1016/s0040-4039(00)92126-9)
ChEBI Ontology
Outgoing Relation(s)
Benthocyanin A (CHEBI:203081) is a terpene lactone (CHEBI:37668)
IUPAC Name 
5-(3,7-dimethylocta-2,6-dienyl)-2-oxo-3-phenyluro[3,2-i]phenazine-9-carboxylic acid
Manual XrefsDatabases
78434579ChemSpider