input word = C00004487

Metabolite InformationStructural formula
Name 6-Hydroxyapigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Scutellarein 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-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H28O15
Mw 592.14282023
CAS RN 151750-82-2
C_ID C00004487 ,
InChIKey UVSMDMAXSKHOQT-GTNQJFQUNA-N
InChICode InChI=1S/C27H28O15/c1-27(38,8-18(30)31)9-19(32)39-10-17-22(34)24(36)25(37)26(42-17)41-16-7-15-20(23(35)21(16)33)13(29)6-14(40-15)11-2-4-12(28)5-3-11/h2-7,17,22,24-26,28,33-38H,8-10H2,1H3,(H,30,31)/t17-,22-,24+,25+,26-,27+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C[C@](CC(=O)O)(O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJubulaceaeFrullania muscicola Ref.
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