input word = C00025917

Metabolite InformationStructural formula
Name (19S)-Heyneanine
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 COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1[N@@](CCc1c2[nH]c2cc(OC)ccc12)C3
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 markgrafiana Ref.
PlantaeApocynaceaeTabernaemontana pandacaqui Poir. Ref.
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OrganismTabernaemontana bovina
ReferenceLien,J.Nat.Prod.,69,(2006),1797