input word = C00004984

Metabolite InformationStructural formula
Name Veronicafolin 3-O-sulfate
Formula C18H16O11S
Mw 440.04133209
CAS RN 74545-45-2
C_ID C00004984 ,
InChIKey VQSPGZFMRQWZRO-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O11S/c1-25-10-6-8(4-5-9(10)19)16-18(29-30(22,23)24)15(21)13-11(28-16)7-12(26-2)17(27-3)14(13)20/h4-7,19-20H,1-3H3,(H,22,23,24)
SMILES COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OS(=O)(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia veronicifolia Ref.
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