input word = C00002131

Metabolite InformationStructural formula
Name Acrophylline
Formula C17H17NO3
Mw 283.12084342
CAS RN 18904-40-0
C_ID C00002131 ,
InChIKey GARIOWCJZYSSOE-UHFFFAOYSA-N
InChICode InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3
SMILES c1c(cc2c(c1)c(=O)c1c(n2CC=C(C)C)occ1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAcronychia haplophylla Ref.
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