CHEBI:203039 - Diphenazithionin

ChEBI IDCHEBI:203039
ChEBI NameDiphenazithionin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H18N4O9S
Net Charge0
Average Mass610.560
Monoisotopic Mass610.07945
SMILESCOC(=O)c1cc(Sc2cc(C(=O)OC)c3nc4cccc(C(=O)O)c4nc3c2O)cc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C30H18N4O9S/c1-42-29(40)15-9-12(10-19-23(15)31-17-7-3-5-13(27(36)37)21(17)33-19)44-20-11-16(30(41)43-2)24-25(26(20)35)34-22-14(28(38)39)6-4-8-18(22)32-24/h3-11,35H,1-2H3,(H,36,37)(H,38,39)
InChIKeyUHLDAFHHLLDMRD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(96)02190-9)
ChEBI Ontology
Outgoing Relation(s)
Diphenazithionin (CHEBI:203039) is a phenazines (CHEBI:39201)
IUPAC Name 
8-(9-carboxy-4-methoxycarbonylphenazin-2-yl)sulanyl-9-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid
Manual XrefsDatabases
78434750ChemSpider