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CHEBI:228927 - (+)-2-N-Methylfangchinoline

ChEBI IDCHEBI:228927
ChEBI Name(+)-2-N-Methylfangchinoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H43N2O6
Net Charge+1
Average Mass623.770
Monoisotopic Mass623.31156
SMILES[H][C@]12Cc3ccc(OC)c(c3)Oc3ccc(cc3)CC3c4cc(c(OC)cc4CCN3C)Oc3c(O)c(OC)cc(c31)CC[N+]2(C)C
InChIInChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)42-4)18-30-36-26(14-16-40(30,2)3)21-35(44-6)37(41)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+1/t29?,30-/m0/s1
InChIKeyWMLUIAYRBBKAJC-ZSXSBBPPSA-O
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
(+)-2-N-Methylfangchinoline (CHEBI:228927) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(14S)-9,20,25-trimethoxy-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-dodecaen-21-ol
Manual XrefsDatabases
4477905ChemSpider