input word = C00025915

Metabolite InformationStructural formula
Name Isovallesiachotamine
(Z)-Vallesiachotamine
17-Isovallesiachotamine
Formula C21H22N2O3
Mw 350.16304258
CAS RN 34384-71-9
C_ID C00025915 ,
InChIKey NTVLUSJWJRSPSM-GNOSRRHSNA-N
InChICode InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19-/m0/s1
SMILES c1ccc2c(c1)c1c([nH]2)[C@H]2N(CC1)C=C([C@@H](C2)/C(=C/C)/C=O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana psorocarpa (Pierre ex Stapf) Pichon Ref.
PlantaeRubiaceaeChimarrhis turbinata Ref.
PlantaeRubiaceaePsychotria bahiensis Ref.
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OrganismChimarrhis turbinata
ReferenceCardoso,J.Nat.Prod.,66,(2003),1017