input word = C00031789

Metabolite InformationStructural formula
Name Formononetin 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
Formula C27H30O13
Mw 562.16864105
CAS RN 857677-78-2
C_ID C00031789 ,
InChIKey PJHJORWYAZKNAL-RPUPTDNKNA-N
InChICode InChI=1S/C27H30O13/c1-35-14-4-2-13(3-5-14)17-9-36-18-8-15(6-7-16(18)20(17)29)39-25-23(32)22(31)21(30)19(40-25)10-37-26-24(33)27(34,11-28)12-38-26/h2-9,19,21-26,28,30-34H,10-12H2,1H3/t19-,21+,22+,23-,24+,25-,26-,27-/m1/s1
SMILES [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)OC)CO[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia nitida var.hirsutissima Ref.
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OrganismMillettia nitida var.hirsutissima
ReferenceCheng,Chem.Pharm.Bull.,53,(2005),419