input word = C00053830

Metabolite InformationStructural formula
Name tetra-O-galloylglucose
2,3,4,6-Tetra-O-galloyl-D-glucose
Formula C34H28O22
Mw 788.10722258
CAS RN 40410-95-5
C_ID C00053830
InChIKey WVQQJCYNJAWGKW-XSHKJCDBSA-N
InChICode InChI=1S/C34H28O22/c35-9-24(54-32(50)12-3-17(38)26(46)18(39)4-12)30(56-34(52)14-7-21(42)28(48)22(43)8-14)29(55-33(51)13-5-19(40)27(47)20(41)6-13)23(44)10-53-31(49)11-1-15(36)25(45)16(37)2-11/h1-9,23-24,29-30,36-48H,10H2/t23-,24+,29-,30-/m1/s1
SMILES O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
--Galla chinensis Ref.
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OrganismMangifera indica
ReferenceMaldonado-Celis, M. E. et al., Frontiers Plant Sci., 10, (2019), Article 1073.