input word = C00001715

Metabolite InformationStructural formula
Name Echitamine
Formula C22H29N2O4
Mw 385.21273243
CAS RN 6871-44-9
C_ID C00001715 ,
InChIKey AFJPGVUCVDCFPM-GVNUNGRANA-N
InChICode InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20+,21-,22-,24-/m0/s1
SMILES c1ccc2c(c1)[C@@]13[C@@]4(N2)[N@@+](CC1)(C/C(=C/C)/[C@H](C[C@@H]4O)[C@@]3(C(=O)OC)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia congensis Ref.
PlantaeApocynaceaeAlstonia scholaris Ref.
PlantaeApocynaceaeAlstonia spatulata Ref.
PlantaeApocynaceaeAlstonia spectabilis Ref.
PlantaeApocynaceaeWinchia calophylla Ref.
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OrganismAlstonia spatulata
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20