input word = C00004445

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside
Formula C30H34O17
Mw 666.17959966
CAS RN 101899-84-7
C_ID C00004445 ,
InChIKey FPEYXBLVSDJZDD-IXAFDGQZNA-N
InChICode InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)/t17-,21-,23-,24-,29-,30-/m1/s1
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1ccc(c(c1)OC)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)OC)OC(=O)C[C@@](CC(=O)O)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sudachi Ref.
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