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 O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia prionitis Ref.
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