input word = C00006349

Metabolite InformationStructural formula
Name Vitexin 6''-(3-hydroxy-3-methylglutarate)
Formula C27H28O14
Mw 576.14790561
CAS RN 154639-29-9
C_ID C00006349 ,
InChIKey FUKCNWJCRSRWIJ-XXEPNCICNA-N
InChICode InChI=1S/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33)/t17-,22-,23+,24+,26-,27+/m0/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)COC(=O)C[C@@](CC(=O)O)(O)C)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeEleusine coracana Ref.
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