input word = C00008880

Metabolite InformationStructural formula
Name Catechin 7,3'-di-O-gallate
Formula C29H22O14
Mw 594.10095541
CAS RN 110784-26-4
C_ID C00008880 ,
InChIKey AZQKXOBXGHAQPH-BUUNUKEDNA-N
InChICode InChI=1S/C29H22O14/c30-16-2-1-11(7-24(16)43-29(40)13-5-20(34)26(38)21(35)6-13)27-22(36)10-15-17(31)8-14(9-23(15)42-27)41-28(39)12-3-18(32)25(37)19(33)4-12/h1-9,22,27,30-38H,10H2/t22-,27+/m0/s1
SMILES O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
zoom in