input word = C00010056

Metabolite InformationStructural formula
Name Mirificoumestan hydrate
3,9-Dihydroxy-8-methoxy-7-(3-hydroxy-3-methylbutyl)coumestan
Formula C21H20O7
Mw 384.12090299
CAS RN 114865-44-0
C_ID C00010056 ,
InChIKey TUTUMQZQMWKQLL-UHFFFAOYSA-N
InChICode InChI=1S/C21H20O7/c1-21(2,25)7-6-12-16-15(9-13(23)18(12)26-3)27-19-11-5-4-10(22)8-14(11)28-20(24)17(16)19/h4-5,8-9,22-23,25H,6-7H2,1-3H3
SMILES c1(ccc2c(c1)oc(=O)c1c2oc2c1c(c(c(c2)O)OC)CCC(C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia pendula Ref.
PlantaeFabaceaeAcacia pycnantha Ref.
PlantaeFabaceaePueraria mirifica Ref.
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