input word = C00005208

Metabolite InformationStructural formula
Name Kaempferol 3-sophorotrioside
Formula C33H40O21
Mw 772.20620834
CAS RN 80714-53-0
C_ID C00005208 ,
InChIKey MGAFCXOXRHSKIA-VVRPSMJMNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23-,24-,25+,26-,29-,30+,31+,32+,33+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum Ref.
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