input word = C00013703

Metabolite InformationStructural formula
Name Isothymusin 8-glucoside
8-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
Formula C23H24O12
Mw 492.12677623
CAS RN 205682-11-7
C_ID C00013703 ,
InChIKey XZMJYQJEDADTPS-YLZIWWPKNA-N
InChICode InChI=1S/C23H24O12/c1-31-20-16(28)14-11(26)7-12(9-3-5-10(25)6-4-9)33-19(14)22(21(20)32-2)35-23-18(30)17(29)15(27)13(8-24)34-23/h3-7,13,15,17-18,23-25,27-30H,8H2,1-2H3/t13-,15-,17+,18-,23+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1)c(c(c(c2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeBecium grandiflorum Ref.
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