input word = C00005948

Metabolite InformationStructural formula
Name Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Formula C27H28O16
Mw 608.13773485
CAS RN 106915-93-9
C_ID C00005948 ,
InChIKey FMMBDZGNMFRGMV-DDUFAWMWNA-N
InChICode InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/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@](CC(=O)O)(O)C)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus sp. Ref.
PlantaeRosaceaeRubus spp. Ref.
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