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CHEBI:172794 - Citbismine B

ChEBI IDCHEBI:172794
ChEBI NameCitbismine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H34N2O11
Net Charge0
Average Mass670.671
Monoisotopic Mass670.21626
SMILESCOc1cc2nc3c(OC)c(OC)ccc3c(=O)c2c(O)c1C1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)OC1C(C)(C)O
InChIInChI=1S/C36H34N2O11/c1-36(2,44)35-26(24-21(49-35)13-18(40)23-29(24)38(3)28-15(31(23)42)8-10-17(39)33(28)47-6)25-20(46-5)12-16-22(32(25)43)30(41)14-9-11-19(45-4)34(48-7)27(14)37-16/h8-13,26,35,39-40,43-44H,1-7H3,(H,37,41)
InChIKeyVNOSLNLEVFTHKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Citbismine B (CHEBI:172794) has functional parent acridone (CHEBI:50756)
Citbismine B (CHEBI:172794) is a acridines (CHEBI:22213)
IUPAC Name 
5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one
Manual XrefsDatabases
HMDB0041434HMDB
35015186ChemSpider