input word = C00011346

Metabolite InformationStructural formula
Name Dihydrokaempferide 3-glucuronide
Formula C22H22O12
Mw 478.11112617
CAS RN 71140-96-0
C_ID C00011346 ,
InChIKey SCAQADPBORMBSB-MEQWKQORNA-N
InChICode InChI=1S/C22H22O12/c1-31-10-4-2-8(3-5-10)18-19(14(25)13-11(24)6-9(23)7-12(13)32-18)33-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-20,22-24,26-28H,1H3,(H,29,30)/t15-,16-,17+,18+,19-,20-,22+/m0/s1
SMILES c1(c2c(cc(c1)O)O[C@@H]([C@H](C2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(cc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCleome viscosa Ref.
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