input word = C00014088

Metabolite InformationStructural formula
Name Vitexin 2''-O-gallate
Formula C28H24O14
Mw 584.11660548
CAS RN 267883-59-0
C_ID C00014088 ,
InChIKey JIWNHMGTDGWOEF-IGMQVJLDNA-N
InChICode InChI=1S/C28H24O14/c29-9-19-23(37)24(38)27(42-28(39)11-5-16(34)22(36)17(35)6-11)26(41-19)21-14(32)7-13(31)20-15(33)8-18(40-25(20)21)10-1-3-12(30)4-2-10/h1-8,19,23-24,26-27,29-32,34-38H,9H2/t19-,23-,24+,26+,27-/m1/s1
SMILES c1(oc2c(c(=O)c1)c(cc(c2[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia catappa Ref.
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeGeraniaceaePelargonium sidoides Ref.
zoom in