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CHEBI:169446 - Secoisotetrandrine

ChEBI IDCHEBI:169446
ChEBI NameSecoisotetrandrine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H40N2O8
Net Charge0
Average Mass652.744
Monoisotopic Mass652.27847
SMILESCOc1ccc(CC2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1Oc1ccc(C=O)cc1
InChIInChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-21-28-25(19-31(33)44-4)13-16-40(2)38(28)42)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3
InChIKeyRMEYIAJCROYLDU-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)
Secoisotetrandrine (CHEBI:169446) is a isoquinolines (CHEBI:24922)
IUPAC Name 
4-[5-[[6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]benzaldehyde
Manual XrefsDatabases
35015138ChemSpider
HMDB0041246HMDB