input word = C00019729

Metabolite InformationStructural formula
Name 5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone 7-O-(6''-rhamnosylglucoside)
Formula C30H36O16
Mw 652.20033511
CAS RN 220458-91-3
C_ID C00019729 ,
InChIKey PFXQBVDYTDRSKK-RNVDXGRHNA-N
InChICode InChI=1S/C30H36O16/c1-11-20(31)24(35)26(37)29(44-11)43-10-18-22(33)25(36)27(38)30(46-18)45-17-8-16-19(23(34)28(17)41-4)21(32)13(9-42-16)12-5-6-14(39-2)15(7-12)40-3/h5-9,11,18,20,22,24-27,29-31,33-38H,10H2,1-4H3/t11-,18+,20+,22-,24+,25+,26-,27-,29-,30-/m1/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(c(c1)OC)OC)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)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCotula anthemoides Ref.
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