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 O(c1cc2c([C@@H]3[C@H](CO2)c2c(O3)cc(cc2)OC)cc1)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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