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Pyrogallol-2-O-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM160702

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

formula

C₁₂H₁₄O₉

charge

mass

302.06378

reference

InChIKey

SOHXEAWMMVSJFL-COGRHJPHSA-N

InChI

InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1

SMILES

O=C(O)[C@H]1O[C@@H](Oc2c(O)cccc2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89612 chebi:89612	Pyrogallol-2-O-glucuronide (2S,3S,4S,5R,6S)-6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0125511	6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 6-(2,6-Dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
hmdb:HMDB0060017	Pyrogallol-2-O-glucuronide (2S,3S,4S,5R,6S)-6-(2,6-Dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate (2S,3S,4S,5R,6S)-6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB60017	secondary/obsolete/fantasy identifier