input word = C00019311

Metabolite InformationStructural formula
Name Germanaism D
5,6,7,4'-Tetrahydroxyisoflavone 4'-O-(6''-glucosylglucoside)
Formula C27H30O16
Mw 610.15338491
CAS RN 696663-53-3
C_ID C00019311 ,
InChIKey YJMYKTGWWYLKCX-LYULOLPJNA-N
InChICode InChI=1S/C27H30O16/c28-6-14-19(32)22(35)24(37)26(42-14)40-8-15-20(33)23(36)25(38)27(43-15)41-10-3-1-9(2-4-10)11-7-39-13-5-12(29)18(31)21(34)16(13)17(11)30/h1-5,7,14-15,19-20,22-29,31-38H,6,8H2/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES O=c1c(-c2ccc(O[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)cc2)coc2cc(O)c(O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris germanica Ref.
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