input word = C00013942

Metabolite InformationStructural formula
Name Quercetagetin 7-(6''-isobutyrylglucoside)
6-Hydroxyquercetin 7-(6''-isobutyrylglucoside)
2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C25H26O14
Mw 550.13225554
CAS RN 239133-33-6
C_ID C00013942 ,
InChIKey BOULZLPJBSIUKG-LCSBSMHENA-N
InChICode InChI=1S/C25H26O14/c1-8(2)24(35)36-7-14-17(29)20(32)22(34)25(39-14)38-13-6-12-15(18(30)16(13)28)19(31)21(33)23(37-12)9-3-4-10(26)11(27)5-9/h3-6,8,14,17,20,22,25-30,32-34H,7H2,1-2H3/t14-,17-,20+,22-,25-/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O)c(c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C(C)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBuphthalmum salicifolium Ref.
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