input word = C00004458

Metabolite InformationStructural formula
Name Selgin 7-O-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 73413-70-4
C_ID C00004458 ,
InChIKey ASGQQIRHJIOWQM-RSBVYOOMNA-N
InChICode InChI=1S/C22H22O12/c1-31-15-3-8(2-12(26)18(15)27)13-6-11(25)17-10(24)4-9(5-14(17)33-13)32-22-21(30)20(29)19(28)16(7-23)34-22/h2-6,16,19-24,26-30H,7H2,1H3/t16-,19+,20-,21+,22+/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3o2)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys alopecuros (L.) Benth. Ref.
PlantaeLabiataeStachys scardica Griseb. Ref.
zoom in