input word = C00013759

Metabolite InformationStructural formula
Name Kaempferol 3-apioside-7-rhamnosyl-(1->6)-galactoside
3-(D-Apio-beta-D-furanosyloxy)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C32H38O19
Mw 726.20072904
CAS RN 474779-39-0
C_ID C00013759 ,
InChIKey XKDYFRZJOFUFSX-FPEKOYLYNA-N
InChICode InChI=1S/C32H38O19/c1-11-19(36)22(39)24(41)29(47-11)45-8-17-20(37)23(40)25(42)30(50-17)48-14-6-15(35)18-16(7-14)49-26(12-2-4-13(34)5-3-12)27(21(18)38)51-31-28(43)32(44,9-33)10-46-31/h2-7,11,17,19-20,22-25,28-31,33-37,39-44H,8-10H2,1H3/t11-,17-,19-,20+,22+,23-,24-,25-,28+,29+,30+,31-,32+/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@](O)(CO)CO1)O)c(cc(c2)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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilphium perfoliatum Ref.
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OrganismSilphium perfoliatum
ReferenceEl-Sayed,Phytochem.,60,(2002),835