input word = C00037687

Metabolite InformationStructural formula
Name Prionitiside A
Formula C21H20O12
Mw 464.09547611
CAS RN 178273-45-5
C_ID C00037687 ,
InChIKey IZYVPFYICSPJSG-BFELIWMVNA-N
InChICode InChI=1S/C21H20O12/c22-6-13-16(27)17(28)18(29)21(32-13)33-20(30)15-14-11(26)4-8(23)5-12(14)31-19(15)7-1-2-9(24)10(25)3-7/h1-5,13,16-18,21-29H,6H2/t13-,16-,17+,18-,21+/m1/s1
SMILES c12c(c(c(o1)c1ccc(c(c1)O)O)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia prionitis Ref.
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