Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Theaflavin monogallate A
RN: 30462-34-1
InChIKey: KMJPKUVSXFVQGZ-WQLSNUALSA-N

Molecular Formula

  • C36-H28-O16

Molecular Weight

  • 716.601
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Theaflavin monogallate A

Synonyms

  • Theaflavin gallate
  • Theaflavin monogallate A

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, 2-(1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-(2alpha(2R*,3R*),3alpha))-

Registry Numbers

CAS Registry Number

  • 30462-34-1

System Generated Number

  • 0030462341

Structure Descriptors

InChI

1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1

InChIKey

KMJPKUVSXFVQGZ-WQLSNUALSA-N

Smiles

C(c1cc(c(c(c1)O)O)O)(=O)O[C@H]1[C@H](Oc2c(C1)c(cc(c2)O)O)c1cc2c(c(c(c1)O)=O)c(c(cc2[C@@H]1[C@@H](Cc2c(O1)cc(cc2O)O)O)O)O