input word = C00025076

Metabolite InformationStructural formula
Name 14,15-Dehydro-16-epi-vincine
14,15-Didehydro-16-epivincine
Dehydro-14-isovincine
Epivincine
Formula C22H26N2O4
Mw 382.18925733
CAS RN 32790-05-9
C_ID C00025076 ,
InChIKey HTWQPFKEAAOZFQ-CDUOCLCGNA-N
InChICode InChI=1S/C22H26N2O4/c1-4-21-9-5-10-23-11-8-16-15-7-6-14(27-2)12-17(15)24(18(16)19(21)23)22(26,13-21)20(25)28-3/h5-7,9,12,19,26H,4,8,10-11,13H2,1-3H3/t19-,21+,22-/m1/s1
SMILES CC[C@]12C=CCN3CCc4c(n(c5cc(OC)ccc45)[C@](O)(C(=O)OC)C1)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCraspidospermum verticillatum Ref.
PlantaeApocynaceaeMelodinus aeneus Ref.
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