input word = C00005185

Metabolite InformationStructural formula
Name Kaempferol 3-glucoside-7-glucuronide
Formula C27H28O17
Mw 624.13264947
CAS RN 134981-93-4
C_ID C00005185 ,
InChIKey HTMJVMKHYFSKAO-DOQCYBSONA-N
InChICode InChI=1S/C27H28O17/c28-7-13-15(31)17(33)20(36)27(42-13)43-23-16(32)14-11(30)5-10(6-12(14)41-22(23)8-1-3-9(29)4-2-8)40-26-21(37)18(34)19(35)24(44-26)25(38)39/h1-6,13,15,17-21,24,26-31,33-37H,7H2,(H,38,39)/t13-,15-,17-,18+,19+,20-,21+,24-,26-,27+/m1/s1
SMILES O=C(O)C1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeTulipa gesneriana Ref.
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