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CHEBI:228928 - (+)-2-N-Methyltetrandrine

ChEBI IDCHEBI:228928
ChEBI Name(+)-2-N-Methyltetrandrine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H45N2O6
Net Charge+1
Average Mass637.797
Monoisotopic Mass637.32721
SMILES[H][C@]12Cc3ccc(OC)c(c3)Oc3ccc(cc3)CC3c4cc(c(OC)cc4CCN3C)Oc3c(OC)c(OC)cc(c31)CC[N+]2(C)C
InChIInChI=1S/C39H45N2O6/c1-40-16-14-26-21-33(43-5)35-23-29(26)30(40)18-24-8-11-28(12-9-24)46-34-20-25(10-13-32(34)42-4)19-31-37-27(15-17-41(31,2)3)22-36(44-6)38(45-7)39(37)47-35/h8-13,20-23,30-31H,14-19H2,1-7H3/q+1/t30?,31-/m0/s1
InChIKeyVCYHETOWRGYJEE-FLDQDSGZSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
(+)-2-N-Methyltetrandrine (CHEBI:228928) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(14S)-9,20,21,25-tetramethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
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4478007ChemSpider