input word = C00004446

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Formula C30H34O17
Mw 666.17959966
CAS RN 101339-35-9
C_ID C00004446 ,
InChIKey LUQOLUANLDJUSM-ZYPGDDDCNA-N
InChICode InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)44-11-17-21(36)23(38)24(39)29(46-17)47-28-26(42-3)22(37)20-14(32)8-15(45-25(20)27(28)43-4)12-5-6-13(31)16(7-12)41-2/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 COc1cc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4OC(COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)C4O)c(OC)c3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sudachi Ref.
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