input word = C00024368

Metabolite InformationStructural formula
Name Augustine
Formula C17H19NO4
Mw 301.1314081
CAS RN 79659-60-2
C_ID C00024368 ,
InChIKey QLRRUWXMMVXORS-NBCAFMNGNA-N
InChICode InChI=1S/C17H19NO4/c1-19-13-6-14-17(16-15(13)22-16)2-3-18(14)7-9-4-11-12(5-10(9)17)21-8-20-11/h4-5,13-16H,2-3,6-8H2,1H3/t13-,14-,15+,16+,17+/m1/s1
SMILES CO[C@@H]1C[C@H]2[N@@]3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@H]2O[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeAmaryllidaceaeCrinum amabile Ref.
PlantaeAmaryllidaceaeCrinum angustum Rox. Ref.
PlantaeRubiaceaeMitragyna javanica Koord.et Val.var.microphylla Craib Ref.
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