input word = C00056632

Metabolite InformationStructural formula
Name 4''-O-(3-Hydroxy-3-methylglutaroyl)vitexin
Formula C27H28O14
Mw 576.14790561
CAS RN 1206785-67-2
C_ID C00056632
InChIKey CHBDDEHGMBVEAD-GGNUDZBWSA-N
InChICode InChI=1S/C27H28O14/c1-27(38,8-18(33)34)9-19(35)41-24-17(10-28)40-26(23(37)22(24)36)21-14(31)6-13(30)20-15(32)7-16(39-25(20)21)11-2-4-12(29)5-3-11/h2-7,17,22-24,26,28-31,36-38H,8-10H2,1H3,(H,33,34)/t17-,22-,23-,24-,26+,27?/m1/s1
SMILES CC(O)(CC(=O)O)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O[C@@H]1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeEleusine coracana Ref.
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