input word = C00014346

Metabolite InformationStructural formula
Name 5,7-Dihydroxy-3',4'-dimethoxyflavanone 7-rutinoside
Homoesperetin 7-rutinoside
Formula C29H36O15
Mw 624.20542048
CAS RN 28034-80-2
C_ID C00014346 ,
InChIKey GUMSHIGGVOJLBP-RGUSSJOBNA-N
InChICode InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26-,27+,28+,29+/m0/s1
SMILES c1(cc2c(c(c1)O)C(=O)C[C@H](O2)c1cc(c(cc1)OC)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
PlantaeAsteraceaeVernonia diffusa Ref.
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