input word = C00027097

Metabolite InformationStructural formula
Name 10,11-Dimethoxy-1-methyldeacetylpicraline-3',4',5'-trimethoxy-benzoate
10,11-Dimethoxy-1-methylburnamine 3',4',5'-trimethoxybenzoate
Formula C34H40N2O10
Mw 636.26829551
CAS RN 79659-67-9
C_ID C00027097 ,
InChIKey XMPQOOTZKXFCNH-XREJJYRVNA-N
InChICode InChI=1S/C34H40N2O10/c1-9-18-16-36-27-13-20(18)32(31(38)44-8,17-45-30(37)19-10-25(41-5)29(43-7)26(11-19)42-6)33-15-28(36)46-34(27,33)35(2)22-14-24(40-4)23(39-3)12-21(22)33/h9-12,14,20,27-28H,13,15-17H2,1-8H3/b18-9-/t20-,27-,28-,32-,33-,34-/m0/s1
SMILES C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1C5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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