input word = C00004403

Metabolite InformationStructural formula
Name Pedalitin 6-O-beta-glucopyranoside
Formula C22H22O12
Mw 478.11112617
CAS RN 22860-72-6
C_ID C00004403 ,
InChIKey WLDSVYQTJXGHOT-BLZSPVKJNA-N
InChICode InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m1/s1
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterogyne nitens Ref.
PlantaePedaliaceaeSesamum indicum Ref.
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