input word = C00013812

Metabolite InformationStructural formula
Name Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
3-[(O-D-apio-beta-D-furanosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Formula C33H40O19
Mw 740.2163791
CAS RN 221685-99-0
C_ID C00013812 ,
InChIKey ORQXPQKGHOWSDB-XCXRGUASNA-N
InChICode InChI=1S/C33H40O19/c1-12-20(37)23(40)24(41)30(48-12)51-27-21(38)18(9-46-32-29(43)33(44,10-34)11-47-32)50-31(25(27)42)52-28-22(39)19-16(36)7-15(45-2)8-17(19)49-26(28)13-3-5-14(35)6-4-13/h3-8,12,18,20-21,23-25,27,29-32,34-38,40-44H,9-11H2,1-2H3/t12-,18+,20-,21+,23+,24-,25+,27-,29+,30-,31-,32+,33+/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@](O)(CO)CO1)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMosla soochouensis Ref.
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