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CHEBI:210520 - Solphenazine B

ChEBI IDCHEBI:210520
ChEBI NameSolphenazine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30N2O13
Net Charge0
Average Mass602.549
Monoisotopic Mass602.17479
SMILESCC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC(=O)c2cccc3nc4c(C(=O)O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cccc4nc23)[C@@H]1O
InChIInChI=1S/C28H30N2O13/c1-10-19(32)21(34)22(35)27(39-10)42-25(37)13-6-4-8-15-17(13)29-16-9-5-7-14(18(16)30-15)26(38)43-28-23(36)24(41-12(3)31)20(33)11(2)40-28/h4-11,19-24,27-28,32-36H,1-3H3/t10-,11-,19-,20-,21+,22+,23+,24+,27-,28-/m0/s1
InChIKeyDZOLRXLUHPQHDI-SLNKWHCOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23317013)
ChEBI Ontology
Outgoing Relation(s)
Solphenazine B (CHEBI:210520) is a phenazines (CHEBI:39201)
IUPAC Name 
1-O-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl] 6-O-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1,6-dicarboxylate
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29419660ChemSpider