input word = C00004517

Metabolite InformationStructural formula
Name 6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C28H30O16
Mw 622.15338491
CAS RN 151750-86-6
C_ID C00004517 ,
InChIKey UIKVEVPMKBTFAC-BTWQCSLQNA-N
InChICode InChI=1S/C28H30O16/c1-28(39,8-19(31)32)9-20(33)41-10-18-23(35)25(37)26(38)27(44-18)43-17-7-16-21(24(36)22(17)34)13(30)6-14(42-16)11-3-4-12(29)15(5-11)40-2/h3-7,18,23,25-27,29,34-39H,8-10H2,1-2H3,(H,31,32)/t18-,23-,25+,26-,27-,28+/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)c(O)c(O[C@@H]4OC(COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJubulaceaeFrullania polysticta Ref.
zoom in