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CHEBI:197189 - Citbismine D

ChEBI IDCHEBI:197189
ChEBI NameCitbismine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H38N2O11
Net Charge0
Average Mass722.747
Monoisotopic Mass722.24756
SMILES[H][C@@]1(c2c3c(c4c(c2O)c(=O)c2ccc(O)c(OC)c2n4C)C=CC(C)(C)O3)c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@@]1([H])C(C)(C)O
InChIInChI=1S/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3/t25-,38+/m0/s1
InChIKeyYDFOOKXFYDNPMQ-IZADFHCISA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Citbismine D (CHEBI:197189) has functional parent acridone (CHEBI:50756)
Citbismine D (CHEBI:197189) is a acridines (CHEBI:22213)
IUPAC Name 
5-[(1S,2R)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1,2-dihydrouro[2,3-c]acridin-1-yl]-6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one