input word = C00025917

Metabolite InformationStructural formula
Name Isovoacristine
Formula C22H28N2O4
Mw 384.2049074
CAS RN 5525-37-1
C_ID C00025917 ,
InChIKey XGWIRMWTCWJZPG-AIADHVJKNA-N
InChICode InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,17+,20-,22+/m0/s1
SMILES c12[nH]c3c(c1ccc(c2)OC)CCN1[C@@H]2[C@]3(C[C@@H](C[C@@H]2[C@H](C)O)C1)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana amblyocarpa Urb. Ref.
PlantaeApocynaceaeTabernaemontana bovina Ref.
PlantaeApocynaceaeTabernaemontana calcarea Ref.
PlantaeApocynaceaeTabernaemontana divaricata (L.)R.Br. Ref.
PlantaeApocynaceaeTabernaemontana pandacaqui Poir. Ref.
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OrganismTabernaemontana pandacaqui Poir.
ReferenceCava,Chem.Ind.(London),(1965),2064