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CHEBI:168674 - Citbismine C

ChEBI IDCHEBI:168674
ChEBI NameCitbismine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H36N2O11
Net Charge0
Average Mass684.698
Monoisotopic Mass684.23191
SMILESCOc1cc2c(c(O)c1C1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)OC1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C
InChIInChI=1S/C37H36N2O11/c1-37(2,45)36-27(25-22(50-36)14-19(41)24-30(25)39(4)28-15(32(24)43)9-11-18(40)34(28)48-7)26-21(47-6)13-17-23(33(26)44)31(42)16-10-12-20(46-5)35(49-8)29(16)38(17)3/h9-14,27,36,40-41,44-45H,1-8H3
InChIKeyBDURUBOYNAVRCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Citbismine C (CHEBI:168674) has functional parent acridone (CHEBI:50756)
Citbismine C (CHEBI:168674) is a acridines (CHEBI:22213)
IUPAC Name 
5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxoacridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one
Manual XrefsDatabases
HMDB0041435HMDB
35015187ChemSpider