input word = C00005259

Metabolite InformationStructural formula
Name Kaempferol 3-(2G-xylosylrutinoside)-7-glucoside
Formula C38H48O24
Mw 888.25355247
CAS RN 131559-51-8
C_ID C00005259 ,
InChIKey IWAJFLCECYKROM-BFYGSNLTNA-N
InChICode InChI=1S/C38H48O24/c1-11-21(43)26(48)30(52)35(56-11)55-10-19-24(46)28(50)34(62-36-29(51)22(44)16(42)9-54-36)38(60-19)61-33-25(47)20-15(41)6-14(57-37-31(53)27(49)23(45)18(8-39)59-37)7-17(20)58-32(33)12-2-4-13(40)5-3-12/h2-7,11,16,18-19,21-24,26-31,34-46,48-53H,8-10H2,1H3/t11-,16+,18-,19-,21+,22-,23-,24-,26+,27+,28-,29-,30-,31+,34-,35-,36-,37-,38+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHostaceaeHosta ventricosa Ref.
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