input word = C00010184

Metabolite InformationStructural formula
Name Medicarpin 3-O-(6'-malonylgluclside)
Formula C25H26O12
Mw 518.1424263
CAS RN 131653-24-2
C_ID C00010184 ,
InChIKey BQAJKXKYTQTBDK-UASRJEDYNA-N
InChICode InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21-,22+,23-,24-,25-/m1/s1
SMILES COc1ccc2c(c1)OC1c3ccc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)cc3OCC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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