input word = C00005343

Metabolite InformationStructural formula
Name Herbacetin 8-glucuronide
Formula C21H18O13
Mw 478.07474066
CAS RN 66003-48-3
C_ID C00005343 ,
InChIKey KQVXFPZLTYVNGJ-UCYKWPQYNA-N
InChICode InChI=1S/C21H18O13/c22-7-3-1-6(2-4-7)16-13(27)11(25)10-8(23)5-9(24)17(18(10)32-16)33-21-15(29)12(26)14(28)19(34-21)20(30)31/h1-5,12,14-15,19,21-24,26-29H,(H,30,31)/t12-,14-,15+,19+,21+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum album Ref.
PlantaeMalvaceaeMelochia corchorifolia Ref.
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