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Theaflagallin

Properties

Image

Occurences in reactions

MNX_ID

MNXM144759

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₁₆O₉

charge

mass

400.07943

reference

InChIKey

KOXRJHMEFYNYME-UHFFFAOYSA-N

InChI

InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)

SMILES

O=c1cc(C2Oc3cc(O)cc(O)c3CC2O)cc2cc(O)c(O)c(O)c2c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172637 chebi:172637	Theaflagallin 2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-6-one
hmdb:HMDB0033287	Theaflagallin 2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-6H-benzo[7]annulen-6-one 2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulen-6-one
hmdb:HMDB33287	secondary/obsolete/fantasy identifier