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CHEBI:176921 - 4'-O-Desmethylpapaveroxine

ChEBI IDCHEBI:176921
ChEBI Name4'-O-Desmethylpapaveroxine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO7
Net Charge0
Average Mass401.415
Monoisotopic Mass401.14745
SMILES[H][C@]1([C@@H](O)c2ccc(OC)c(OC)c2C=O)c2c(cc3c(c2O)OCO3)CCN1C
InChIInChI=1S/C21H23NO7/c1-22-7-6-11-8-15-21(29-10-28-15)19(25)16(11)17(22)18(24)12-4-5-14(26-2)20(27-3)13(12)9-23/h4-5,8-9,17-18,24-25H,6-7,10H2,1-3H3/t17-,18+/m1/s1
InChIKeyPYFSIWNQTPXVAJ-MSOLQXFVSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
4'-O-Desmethylpapaveroxine (CHEBI:176921) is a isoquinolines (CHEBI:24922)
IUPAC Name 
6-[(S)-hydroxy-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzaldehyde
Manual XrefsDatabases
C21599KEGG COMPOUND