input word = C00005845

Metabolite InformationStructural formula
Name Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H28O15
Mw 592.14282023
CAS RN 157407-84-6
C_ID C00005845 ,
InChIKey ZALWWUJLKFBCQF-MBJUEWSENA-N
InChICode InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)/t16-,20-,22-,23-,26+,27-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)C[C@@](O)(C)CC(=O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus auranthium Ref.
PlantaeRutaceaeCitrus aurantifolia Ref.
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