input word = C00052204

Metabolite InformationStructural formula
Name Atalafoline
Formula C17H17NO6
Mw 331.10558728
CAS RN 107259-49-4
C_ID C00052204
InChIKey SMZNQRJKSRSJJH-UHFFFAOYSA-N
InChICode InChI=1S/C17H17NO6/c1-18-9-7-10(19)16(23-3)15(21)12(9)14(20)8-5-6-11(22-2)17(24-4)13(8)18/h5-7,19,21H,1-4H3
SMILES COc1ccc2c(=O)c3c(O)c(OC)c(O)cc3n(C)c2c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAtalantia buxifolia Ref.
PlantaeRutaceaeCitrus grandis Ref.
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OrganismCitrus grandis
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9