input word = C00019130

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6-methoxyisoflavone 4'-O-(6''-glucosylglucoside)
Tectorigenin 4'-glucosyl(1->6)glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 230952-54-2
C_ID C00019130 ,
InChIKey JUBDCFUPBLXIFI-IMZMOHMLNA-N
InChICode InChI=1S/C28H32O16/c1-39-26-13(30)6-14-17(21(26)34)18(31)12(8-40-14)10-2-4-11(5-3-10)42-28-25(38)23(36)20(33)16(44-28)9-41-27-24(37)22(35)19(32)15(7-29)43-27/h2-6,8,15-16,19-20,22-25,27-30,32-38H,7,9H2,1H3/t15-,16-,19-,20-,22+,23+,24+,25-,27-,28-/m1/s1
SMILES COc1c(O)cc2occ(-c3ccc(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)cc3)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris carthaliniae Ref.
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