input word = C00005246

Metabolite InformationStructural formula
Name Kaempferol 3-sophoroside-4'-glucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 132923-22-9
C_ID C00005246 ,
InChIKey RZNSRWIUKKNVLV-LWKZGJKPNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-3-1-10(2-4-12)28-29(22(42)18-13(38)5-11(37)6-14(18)49-28)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2/t15-,16+,17+,19-,20-,21-,23+,24+,25+,26-,27-,30-,31-,32+,33+/m1/s1
SMILES O=c1c(O[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[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)cc2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium septentrionale Ref.
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