input word = C00025721

Metabolite InformationStructural formula
Name 16-Epivobasinic acid
Formula C20H22N2O3
Mw 338.16304258
CAS RN 13281-24-8
C_ID C00025721 ,
InChIKey IOKGNWYDFHIEMA-VRFQHFQJNA-N
InChICode InChI=1S/C20H22N2O3/c1-3-11-10-22(2)16-8-14-12-6-4-5-7-15(12)21-19(14)17(23)9-13(11)18(16)20(24)25/h3-7,13,16,18,21H,8-10H2,1-2H3,(H,24,25)/b11-3-/t13-,16-,18+/m0/s1
SMILES c12c([nH]c3c1cccc3)C(=O)C[C@H]1/C(=C\C)/CN([C@@H](C2)[C@@H]1C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana psychotriifolia H.B.K. Ref.
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OrganismTabernaemontana psychotriifolia H.B.K.
ReferenceBurnell,Can.J.Chem.,49,(1971),307