input word = C00013591

Metabolite InformationStructural formula
Name Kaempferol 3,7,4'-triglucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 108887-48-5
C_ID C00013591 ,
InChIKey GZKTYMIMRMNEII-BZZUQPSMNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-11-3-1-10(2-4-11)29-30(54-33-28(47)25(44)21(40)17(9-36)53-33)22(41)18-13(37)5-12(6-14(18)50-29)49-32-27(46)24(43)20(39)16(8-35)52-32/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25-,26-,27-,28-,31-,32-,33+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc2)oc2cc(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
PlantaeCruciferaeCrambe cordifolia Ref.
PlantaeIridaceaeCrocus sativus Ref.
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