input word = C00019134

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6-methoxyisoflavone 7-O-glucoside-4'-O-glucoside
Tectorigenin-7-O-beta-glucosyl-4'-O-beta-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 848128-32-5
C_ID C00019134 ,
InChIKey RSNFRXLRXMMZGW-IMZMOHMLNA-N
InChICode InChI=1S/C28H32O16/c1-39-26-14(42-28-25(38)23(36)20(33)16(8-30)44-28)6-13-17(21(26)34)18(31)12(9-40-13)10-2-4-11(5-3-10)41-27-24(37)22(35)19(32)15(7-29)43-27/h2-6,9,15-16,19-20,22-25,27-30,32-38H,7-8H2,1H3/t15-,16-,19+,20+,22-,23-,24-,25+,27+,28+/m0/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris spuria Ref.
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