input word = C00013762

Metabolite InformationStructural formula
Name Kaempferol 3-gentiobioside-4'-glucoside
3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 288626-57-3
C_ID C00013762 ,
InChIKey NLAWSKQGKDCPGP-KESLGSFSNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(36)6-14(18)50-29(30)10-1-3-12(4-2-10)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 c1c(ccc(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1oc2c(c(=O)c1O[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)CO)O)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium incisum Ref.
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