**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

homovanillate

Properties Image MNX_ID MNXM3287 reference chebi:133744 formula C9H9O4 global charge -1 mol weight 181.167 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 MNX internals InChI (mnx) InChI=1/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) SMILES (mnx) [CH3:1][O:13][c:8]1[cH:4][c:6]([CH2:5][C:9]([OH:11])=[O:12])[cH:2][cH:3][c:7]1[OH:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 9

Similar chemical compounds in external resources

Identifier	Description
CHEBI:133744 chebi:133744 QRMZSPFSDQBLIX-UHFFFAOYSA-M	homovanillate (4-hydroxy-3-methoxyphenyl)acetate 3-methoxy-4-hydroxyphenylacetate
bigg.metabolite:homoval biggM:homoval QRMZSPFSDQBLIX-UHFFFAOYSA-M	Homovanillate
vmhM:homoval vmhM:homoval vmhmetabolite:homoval vmhmetabolite:homoval QRMZSPFSDQBLIX-UHFFFAOYSA-M	Homovanillate (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'-methoxy-phenylacetic 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 Aadc deficiency Acid, 3-methoxy-4-hydroxyphenylacetic Acid, 4-hydroxy-3-methoxyphenylacetic Acid, homovanillic Clinical depression Csf Cytoplasma Depression Digestion Epileptic spasms Faecal Faeces Familial spastic paraplegia Fecal Flora Ghd HVA Homovanilate Homovanilic acid Homovanillate Homovanillinic acid Kidneys Low thyroid Major depression Narcoleptic syndrome 1 Opca Spastic ataxia Stool Strumpell-lorrain disease Underactive thyroid Unipolar depression Unipolar disorder Vanilacetate Vanilacetic acid Vanillacetate Vanillacetic acid
seed.compound:cpd03312 seedM:cpd03312 QRMZSPFSDQBLIX-UHFFFAOYSA-M	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 QRMZSPFSDQBLIX-UHFFFAOYSA-N	Homovanillate 3-Methoxy-4-hydroxyphenylacetate Homovanillic acid
hmdb:HMDB0000118 QRMZSPFSDQBLIX-UHFFFAOYSA-N	Homovanillic acid (4-Hydroxy-3-methoxyphenyl)acetate (4-Hydroxy-3-methoxyphenyl)acetic acid 2-(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'-methoxy-phenylacetic 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 QRMZSPFSDQBLIX-UHFFFAOYSA-M	compound 0283424
metacyc.compound:CPD-7651 metacycM:CPD-7651 QRMZSPFSDQBLIX-UHFFFAOYSA-M	homovanillate 3-methoxy-4-hydroxyphenylacetate 3-methoxy-4-hydroxyphenylacetic acid 4-hydroxy-3-methoxybenzenacetic acid 4-hydroxy-3-methoxyphenylacetic acid homovanillic acid vanillacetic acid
reactome:R-ALL-9677992 reactomeM:R-ALL-9677992 CHEBI:545959 chebi:545959 QRMZSPFSDQBLIX-UHFFFAOYSA-N	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 vmhM:M_homoval	secondary/obsolete/fantasy identifier