input word = C00004447

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Formula C30H34O17
Mw 666.17959966
CAS RN 98891-96-4
C_ID C00004447 ,
InChIKey YBCDABXTVIRRQV-IXAFDGQZNA-N
InChICode InChI=1S/C30H34O17/c1-30(40,9-18(32)33)10-19(34)44-11-17-21(35)23(37)24(38)29(47-17)46-14-6-5-12(7-16(14)41-2)15-8-13(31)20-22(36)27(42-3)25(39)28(43-4)26(20)45-15/h5-8,17,21,23-24,29,35-40H,9-11H2,1-4H3,(H,32,33)/t17-,21-,23+,24-,29-,30+/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O[C@@H]1OC(COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sudachi Ref.
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OrganismCitrus sudachi
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Horie,Phytochem.,25,(1986),2621