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CHEBI:212056 - Benthocyanin B

ChEBI IDCHEBI:212056
ChEBI NameBenthocyanin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28N2O4
Net Charge0
Average Mass492.575
Monoisotopic Mass492.20491
SMILESCC(C)=CCC/C(C)=C\Cn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(-c4ccccc4)c3cc21
InChIInChI=1S/C31H28N2O4/c1-19(2)10-9-11-20(3)16-17-33-24-15-8-7-14-23(24)32-28-25(33)18-22-26(21-12-5-4-6-13-21)31(36)37-29(22)27(28)30(34)35/h4-8,10,12-16,18H,9,11,17H2,1-3H3,(H,34,35)/b20-16-
InChIKeyBHHZMNGABXTHMA-SILNSSARSA-N
Species of MetaboliteComponentSourceComments
Streptomyces prunicolor (ncbitaxon:67348) - DOI (10.1021/jo00067a069)
ChEBI Ontology
Outgoing Relation(s)
Benthocyanin B (CHEBI:212056) is a terpene lactone (CHEBI:37668)
IUPAC Name 
5-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-oxo-3-phenyluro[2,3-b]phenazine-11-carboxylic acid