input word = C00004418

Metabolite InformationStructural formula
Name Hypolaetin 7-O-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 32455-43-9
C_ID C00004418 ,
InChIKey BIPHTXZNUUXTIC-OSYXLDHXNA-N
InChICode InChI=1S/C21H20O12/c22-6-14-16(27)18(29)19(30)21(33-14)32-13-5-11(26)15-10(25)4-12(31-20(15)17(13)28)7-1-2-8(23)9(24)3-7/h1-5,14,16,18-19,21-24,26-30H,6H2/t14-,16-,18+,19-,21-/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys alopecuros (L.) Benth. Ref.
PlantaeLabiataeStachys scardica Griseb. Ref.
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