input word = C00019131

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside)
Formula C29H34O17
Mw 654.17959966
CAS RN 230952-55-3
C_ID C00019131 ,
InChIKey RPMLONDJRVSFNW-MYAVFAKNNA-N
InChICode InChI=1S/C29H34O17/c1-40-13-5-10(3-4-12(13)31)11-8-42-14-6-15(27(41-2)22(35)18(14)19(11)32)44-29-26(39)24(37)21(34)17(46-29)9-43-28-25(38)23(36)20(33)16(7-30)45-28/h3-6,8,16-17,20-21,23-26,28-31,33-39H,7,9H2,1-2H3/t16-,17-,20-,21-,23+,24+,25-,26-,28-,29-/m1/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(c(c1)OC)O)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris carthaliniae Ref.
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