input word = C00043478

Metabolite InformationStructural formula
Name Echitaminic acid
Formula C21H26N2O4
Mw 370.18925733
CAS RN 7163-44-2
C_ID C00043478 ,
InChIKey AHCCFXHMOVLFOF-QLKAYGNNNA-N
InChICode InChI=1S/C21H27N2O4/c1-3-13-11-23(2)9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27/h3-7,15,17,22,24-25H,8-12H2,1-2H3,(H,26,27)/b13-3+/t15-,17+,19-,20-,21-/m0/s1
SMILES [C@H]12[C@](C(=O)O)(CO)[C@]34c5ccccc5N[C@]3([N@@](CC4)(C/C/2=CC)C)[C@@H](C1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
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OrganismAlstonia scholaris
ReferenceSalim,J.Nat.Prod.,67,(2004),1591