input word = C00020040

Metabolite InformationStructural formula
Name Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Formula C21H24O13
Mw 484.12169086
CAS RN 132923-05-8
C_ID C00020040 ,
InChIKey DJGOBEPTBDKYDU-PGSYNJNHNA-N
InChICode InChI=1S/C21H24O13/c1-21(30,6-14(23)24)7-16(26)31-8-13-17(27)18(28)19(29)20(34-13)33-12-4-9-2-3-15(25)32-11(9)5-10(12)22/h2-5,13,17-20,22,27-30H,6-8H2,1H3,(H,23,24)/t13-,17-,18+,19-,20-,21+/m1/s1
SMILES c1(c(cc2c(c1)ccc(=O)o2)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeLedum palustre Ref.
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OrganismLedum palustre
ReferenceDubois,Phytochem.,29,(1990),3369