input word = C00000942

Metabolite InformationStructural formula
Name Betagarin
Formula C18H16O6
Mw 328.09468824
CAS RN 60132-69-6
C_ID C00000942 ,
InChIKey IHPVFYLOGNNZLA-UGPWUYPHNA-N
InChICode InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1
SMILES COc1ccccc1[C@@H]1CC(=O)c2c(cc3c(c2OC)OCO3)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
--Cercospora beticola Ref.
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