input word = C00014104

Metabolite InformationStructural formula
Name Orientin 2''-O-gallate
Formula C28H24O15
Mw 600.1115201
CAS RN 438000-12-5
C_ID C00014104 ,
InChIKey KVXWWRLZEGVWRD-IGMQVJLDNA-N
InChICode InChI=1S/C28H24O15/c29-8-19-23(38)24(39)27(43-28(40)10-4-16(35)22(37)17(36)5-10)26(42-19)21-14(33)6-13(32)20-15(34)7-18(41-25(20)21)9-1-2-11(30)12(31)3-9/h1-7,19,23-24,26-27,29-33,35-39H,8H2/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)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeGeraniaceaePelargonium sidoides Ref.
zoom in