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 CC(O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus sp. Ref.
PlantaeRosaceaeRubus spp. Ref.
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