input word = C00013946

Metabolite InformationStructural formula
Name Patuletin 7-(6''-isobutyrylglucoside)
Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside)
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C26H28O14
Mw 564.14790561
CAS RN 239133-35-8
C_ID C00013946 ,
InChIKey AIDVHFDSVRUDAJ-PEWMBUSLNA-N
InChICode InChI=1S/C26H28O14/c1-9(2)25(35)37-8-15-17(29)20(32)22(34)26(40-15)39-14-7-13-16(19(31)24(14)36-3)18(30)21(33)23(38-13)10-4-5-11(27)12(28)6-10/h4-7,9,15,17,20,22,26-29,31-34H,8H2,1-3H3/t15-,17+,20-,22+,26+/m0/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)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBuphthalmum salicifolium Ref.
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