input word = C00005311

Metabolite InformationStructural formula
Name 6-Hydroxykaempferol 3,6,7-triglucoside
Formula C33H40O22
Mw 788.20112297
CAS RN 145134-62-9
C_ID C00005311 ,
InChIKey ZYJKKAOXNQVUMQ-GOYVGMRXNA-N
InChICode InChI=1S/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14+,15-,17-,18-,19-,22+,23+,24+,25-,26-,27-,31-,32+,33+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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