input word = C00005891

Metabolite InformationStructural formula
Name Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside
3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H38O20
Mw 754.19564366
CAS RN 157407-85-7
C_ID C00005891 ,
InChIKey KNBPTHQAIKQFMM-ZKKRTARHNA-N
InChICode InChI=1S/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)/t17-,18+,22+,23+,25-,26+,27+,28+,31+,32-,33+/m0/s1
SMILES CC(O)(CC(=O)O)CC(=O)OCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus aurantifolia Ref.
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