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Homovanillic acid sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM56647

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

formula

C₉H₁₀O₇S

charge

mass

262.01472

reference

InChIKey

IACOAKYXFIWAQN-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)

SMILES

COc1cc(CC(=O)O)ccc1OS(=O)(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88405 chebi:88405	Homovanillic acid sulfate 2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid 3-Methoxy-4-(sulfooxy)-benzeneacetic acid 4-Sulfooxy-3-methoxy-benzeneacetic acid 4-Sulfooxy-3-methoxyphenylacetic acid
hmdb:HMDB0011719	Homovanillic acid sulfate (4-Hydroxy-3-methoxyphenyl)acetic acid sulfate (4-Hydroxy-3-methoxyphenyl)acetic acid sulphate 2-[3-Methoxy-4-(sulfooxy)phenyl]acetate 2-[3-Methoxy-4-(sulphooxy)phenyl]acetate 2-[3-Methoxy-4-(sulphooxy)phenyl]acetic acid 2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid 3'-Methoxy-4'-hydroxyphenylacetic acid sulfate 3'-Methoxy-4'-hydroxyphenylacetic acid sulphate 3'-methoxy-4'-hydroxyphenylacetic acid sulfate 3'-methoxy-4'-hydroxyphenylacetic acid sulphate 3-Methoxy-4-(sulfooxy)-benzeneacetic acid 3-Methoxy-4-(sulfooxy)benzeneacetic acid 3-Methoxy-4-hydroxyphenylacetic acid sulfate 3-Methoxy-4-hydroxyphenylacetic acid sulphate 4-Hydroxy-3-methoxybenzeneacetic acid sulfate 4-Hydroxy-3-methoxybenzeneacetic acid sulphate 4-Sulfooxy-3-methoxy-benzeneacetic acid 4-Sulfooxy-3-methoxyphenylacetic acid Homovanillate sulfate Homovanillate sulphate Homovanillic acid sulfuric acid Homovanillic acid sulphate Homovanillic acid sulphuric acid Vanilacetic acid sulfate Vanilacetic acid sulphate [3-methoxy-4-(sulfooxy)phenyl]acetic acid
hmdb:HMDB11719	secondary/obsolete/fantasy identifier