input word = C00013947

Metabolite InformationStructural formula
Name Patuletin 7-[6''-(2-methylbutyryl)-glucoside]
Quercetagetin 6-methyl ether 7-[6''-(2-methylbutyryl)-glucoside]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C27H30O14
Mw 578.16355567
CAS RN 254886-93-6
C_ID C00013947 ,
InChIKey SFYSEZGEYNZKDD-CBNVVCBWNA-N
InChICode InChI=1S/C27H30O14/c1-4-10(2)26(36)38-9-16-18(30)21(33)23(35)27(41-16)40-15-8-14-17(20(32)25(15)37-3)19(31)22(34)24(39-14)11-5-6-12(28)13(29)7-11/h5-8,10,16,18,21,23,27-30,32-35H,4,9H2,1-3H3/t10-,16-,18-,21+,23+,27-/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@H](C)CC)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula britannica Ref.
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