input word = C00010169

Metabolite InformationStructural formula
Name Afrormosin 7-O-(6''-malonylglucoside)
Formula C26H26O13
Mw 546.13734092
CAS RN 131670-16-1
C_ID C00010169 ,
InChIKey HOWDEROVXAADRI-YTUDVUSINA-N
InChICode InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)/t19-,23+,24-,25+,26+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(cc2)OC)cc1OC)[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
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeMedicago sativa Ref.
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OrganismGlycyrrhiza glabra
ReferenceLi,Phytochem.,55,(2000),447