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CHEBI:169526 - 7-Formyldehydrothalicsimidine

ChEBI IDCHEBI:169526
ChEBI Name7-Formyldehydrothalicsimidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO6
Net Charge0
Average Mass411.454
Monoisotopic Mass411.16819
SMILESCOc1cc2c(C=O)c3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C
InChIInChI=1S/C23H25NO6/c1-24-8-7-12-18-19(22(29-5)23(30-6)21(12)28-4)14-10-17(27-3)16(26-2)9-13(14)15(11-25)20(18)24/h9-11H,7-8H2,1-6H3
InChIKeyJSQVAGZIQIKFIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7-Formyldehydrothalicsimidine (CHEBI:169526) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-8-carbaldehyde
Manual XrefsDatabases
HMDB0033097HMDB
30776974ChemSpider