input word = C00005046

Metabolite InformationStructural formula
Name Gomphrenol
Formula C16H10O7
Mw 314.04265268
CAS RN 70610-25-2
C_ID C00005046 ,
InChIKey WBQNGHIOSSPSDW-UHFFFAOYSA-N
InChICode InChI=1S/C16H10O7/c17-8-3-1-7(2-4-8)15-14(20)12(18)11-9(23-15)5-10-16(13(11)19)22-6-21-10/h1-5,17,19-20H,6H2
SMILES O=c1c(O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeGomphrena globosa Ref.
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