input word = C00005687

Metabolite InformationStructural formula
Name Gossypetin 3-glucuronide
Formula C21H18O14
Mw 494.06965529
CAS RN 36190-94-0
C_ID C00005687 ,
InChIKey WSYAMFPDJDZYOA-INDFTWNNNA-N
InChICode InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-18(12(27)10-8(24)4-9(25)11(26)17(10)33-16)34-21-15(30)13(28)14(29)19(35-21)20(31)32/h1-4,13-15,19,21-26,28-30H,(H,31,32)/t13-,14-,15-,19-,21+/m0/s1
SMILES O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3c(O)c(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeChiranthodendron pentadactylon Ref.
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