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homovanillate

Properties

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Occurences in reactions

MNX_ID

MNXM3287

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	8

formula

C₉H₉O₄

charge

-1

mass

181.05063

reference

chebi:133744

InChIKey

QRMZSPFSDQBLIX-UHFFFAOYSA-M

InChI

InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/p-1

SMILES

COc1cc(CC(=O)[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133744 chebi:133744	homovanillate (4-hydroxy-3-methoxyphenyl)acetate 3-methoxy-4-hydroxyphenylacetate
bigg.metabolite:homoval biggM:homoval	Homovanillate
seed.compound:cpd03312 seedM:cpd03312	Homovanillate 3-Methoxy-4-hydroxyphenylacetate 3-methoxy-4-hydroxyphenylacetate 3-methoxy-4-hydroxyphenylacetic acid 4-hydroxy-3-methoxybenzenacetic acid 4-hydroxy-3-methoxyphenylacetic acid Homovanillic acid homovanillate homovanillic acid vanillacetic acid
kegg.compound:C05582 keggC:C05582	Homovanillate 3-Methoxy-4-hydroxyphenylacetate Homovanillic acid
hmdb:HMDB0000118	Homovanillic acid (4-Hydroxy-3-methoxyphenyl)acetate (4-Hydroxy-3-methoxyphenyl)acetic acid 2-(4-hydroxy-3-methoxyphenyl)acetic acid 3 Methoxy 4 hydroxyphenylacetic acid 3'-Methoxy-4'-hydroxyphenylacetic acid 3'-methoxy-4'-hydroxyphenylacetic acid 3-Methoxy-4-hydroxy-phenylacetic acid 3-Methoxy-4-hydroxyphenylacetate 3-Methoxy-4-hydroxyphenylacetic acid 4 Hydroxy 3 methoxyphenylacetic acid 4-Hydroxy 3-methoxyphenylacetic acid 4-Hydroxy-3-methoxybenzeneacetate 4-Hydroxy-3-methoxybenzeneacetic acid 4-Hydroxy-3-methoxyphenylacetic acid Acid, 3-methoxy-4-hydroxyphenylacetic Acid, 4-hydroxy-3-methoxyphenylacetic Acid, homovanillic HVA Homovanilate Homovanilic acid Homovanillate Homovanillinic acid Vanilacetate Vanilacetic acid Vanillacetate Vanillacetic acid homovanillic acid
envipath:...84a927a3ea14 envipathM:...84a927a3ea14	compound 0283424
metacyc.compound:CPD-7651 metacycM:CPD-7651	homovanillate 3-methoxy-4-hydroxyphenylacetate 3-methoxy-4-hydroxyphenylacetic acid 4-hydroxy-3-methoxybenzenacetic acid 4-hydroxy-3-methoxyphenylacetic acid homovanillic acid vanillacetic acid
CHEBI:545959 chebi:545959	homovanillic acid (4-hydroxy-3-methoxyphenyl)acetic acid 2-(4-hydroxy-3-methoxyphenyl)acetic acid 3-Methoxy-4-hydroxyphenylacetate 3-Methoxy-4-hydroxyphenylacetic acid 4-Hydroxy-3-methoxybenzeneacetic acid HVA Homovanillic acid Vanillacetic acid
hmdb:HMDB0004285 hmdb:HMDB00118 hmdb:HMDB04285 chebi:5758 biggM:M_homoval keggC:M_C05582 seedM:M_cpd03312	secondary/obsolete/fantasy identifier