CHEBI:176921 - 4'-O-Desmethylpapaveroxine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-O-Desmethylpapaveroxine
ChEBI ID CHEBI:176921
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23NO7
Net Charge 0
Average Mass 401.415
Monoisotopic Mass 401.14745
InChI InChI=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
InChIKey PYFSIWNQTPXVAJ-MSOLQXFVSA-N
SMILES O[C@H]([C@@]1(N(CCC=2C1=C(O)C=3OCOC3C2)C)[H])C4=C(C(OC)=C(OC)C=C4)C=O
Metabolite of Species Details
Streptococcus mutans (NCBI:txid1309) Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
C21599 KEGG COMPOUND
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