MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Vanillactic acid

	Properties	Image
MNX_ID	MNXM14582
reference	chebi:88526
formula	C₁₀H₁₂O₅
global charge	0
mol weight	212.201
InChIKey	SVYIZYRTOYHQRE-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)
SMILES	COC1=C(O)C=CC(CC(O)C(=O)O)=C1

MNX internals

InChI (mnx)	InChI=1/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)/t8?
SMILES (mnx)	[CH3:1][O:15][C:9]1=[C:7]([OH:11])[CH:3]=[CH:2][C:6]([CH2:4][CH:8]([C:10](=[O:13])[OH:14])[OH:12])=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88526 chebi:88526 SVYIZYRTOYHQRE-UHFFFAOYSA-N	Vanillactic acid 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid 3-(3-Methoxy-4-hydroxyphenyl)lactate 3-(3-Methoxy-4-hydroxyphenyl)lactic acid 3-(4-Hydroxy-3-methoxyphenyl)-Lactate 3-(4-Hydroxy-3-methoxyphenyl)-Lactic acid 3-(4-Hydroxy-3-methoxyphenyl)lactate 3-(4-Hydroxy-3-methoxyphenyl)lactic acid 3-Methoxy-4-hydroxyphenyllactate 3-Methoxy-4-hydroxyphenyllactic acid 4-Hydroxy-3-methoxyphenyllactic acid VLA Vanillactate Vanillyllactate Vanillyllactic acid b-(4-Hydroxy-3-methoxyphenyl)lactate b-(4-Hydroxy-3-methoxyphenyl)lactic acid beta-(4-Hydroxy-3-methoxyphenyl)lactate beta-(4-Hydroxy-3-methoxyphenyl)lactic acid
metacyc.compound:CPD-11831 metacycM:CPD-11831 seed.compound:cpd23099 seedM:cpd23099 SVYIZYRTOYHQRE-UHFFFAOYSA-M	3-methoxy-4-hydroxyphenyllactate 3-methoxy-4-hydroxyphenyllactic acid alpha,4-dihydroxy-3-methoxybenzenepropanoic acid vanillactate vanillactic acid vanillylactic acid
bigg.metabolite:vanillac biggM:vanillac vmhM:vanillac vmhmetabolite:vanillac SVYIZYRTOYHQRE-UHFFFAOYSA-M	Vanil-Lactate
hmdb:HMDB0000913 SVYIZYRTOYHQRE-UHFFFAOYSA-N	Vanillactic acid 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid 3-(3-Methoxy-4-hydroxyphenyl)lactate 3-(3-Methoxy-4-hydroxyphenyl)lactic acid 3-(4-Hydroxy-3-methoxyphenyl)-lactate 3-(4-Hydroxy-3-methoxyphenyl)-lactic acid 3-(4-Hydroxy-3-methoxyphenyl)lactate 3-(4-Hydroxy-3-methoxyphenyl)lactic acid 3-Methoxy-4-hydroxyphenyllactate 3-Methoxy-4-hydroxyphenyllactic acid 4-Hydroxy-3-methoxyphenyllactic acid VLA Vanillactate Vanillylactic acid Vanillyllactate Vanillyllactic acid b-(4-Hydroxy-3-methoxyphenyl)lactate b-(4-Hydroxy-3-methoxyphenyl)lactic acid beta-(4-Hydroxy-3-methoxyphenyl)lactate beta-(4-Hydroxy-3-methoxyphenyl)lactic acid vanillactic acid
envipath:...b7ae556e6a75 envipathM:...b7ae556e6a75 SVYIZYRTOYHQRE-UHFFFAOYSA-M	compound 0288728
hmdb:HMDB00913 biggM:M_vanillac seedM:M_cpd23099 vmhM:M_vanillac	secondary/obsolete/fantasy identifier