input word = C00002144

Metabolite InformationStructural formula
Name Buntanine
Formula C20H21NO5
Mw 355.14197279
CAS RN 119116-85-7
C_ID C00002144 ,
InChIKey XUUGIWDILRFFER-UHFFFAOYSA-N
InChICode InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3
SMILES c1c(c(c2c(c1)c(=O)c1c(n2C)cc(c(c1O)CC=C(C)C)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
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