input word = C00010057

Metabolite InformationStructural formula
Name Mirificoumestan glycol
Formula C21H20O8
Mw 400.11581762
CAS RN 114865-43-9
C_ID C00010057 ,
InChIKey FDDICYCDJLNBGT-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O8/c1-21(2,26)15(24)7-11-16-14(8-12(23)18(11)27-3)28-19-10-5-4-9(22)6-13(10)29-20(25)17(16)19/h4-6,8,15,22-24,26H,7H2,1-3H3/t15-/m1/s1
SMILES c1(ccc2c(c1)oc(=O)c1c2oc2c1c(c(c(c2)O)OC)C[C@H](C(C)(C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria mirifica Ref.
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