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

Feedback

syringate

	Properties	Image
MNX_ID	MNXM12975
reference	chebi:132111
formula	C₉H₉O₅
global charge	-1
mol weight	197.166
InChIKey	JMSVCTWVEWCHDZ-UHFFFAOYSA-M
InChI	InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)/p-1
SMILES	COC1=CC(C(=O)[O-])=CC(OC)=C1O

MNX internals

InChI (mnx)	InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
SMILES (mnx)	[CH3:1][O:13][C:6]1=[C:8]([OH:10])[C:7]([O:14][CH3:2])=[CH:4][C:5]([C:9](=[O:11])[OH:12])=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132111 chebi:132111 JMSVCTWVEWCHDZ-UHFFFAOYSA-M	syringate 4-hydroxy-3,5-dimethoxybenzoate
envipath:...db502f48fa01 envipathM:...db502f48fa01 JMSVCTWVEWCHDZ-UHFFFAOYSA-M	Syringate
sabiork.compound:12914 sabiorkM:12914 JMSVCTWVEWCHDZ-UHFFFAOYSA-N	Syringic acid
hmdb:HMDB0002085 JMSVCTWVEWCHDZ-UHFFFAOYSA-N	Syringic acid 3,5-Dimethoxy-4-hydroxybenzoate 3,5-Dimethoxy-4-hydroxybenzoic acid 3,5-Dimethoxybenzoyl hydrazine 3,5-Dimethyl-4-hydroxybenzoate 3,5-Dimethyl-4-hydroxybenzoic acid 3,5-O-dimethylgallic acid 3,5-dimethoxygallic acid 4-Hydroxy-3,5-dimethoxybenzoate 4-Hydroxy-3,5-dimethoxybenzoic acid 4-Hydroxy-3,5-dimethylbenzoate 4-Hydroxy-3,5-dimethylbenzoic acid 4-hydroxy-3,5-dimethoxybenzoic acid Cedar acid Gallate 3,5-dimethyl ether Gallic acid 3,5-dimethyl ether Syringate Syringic acid cu (+2) salt (1:1) Syringlicacid syringic acid
seed.compound:cpd07719 seedM:cpd07719 JMSVCTWVEWCHDZ-UHFFFAOYSA-M	Syringic acid 4-Hydroxy-3,5-dimethoxybenzoate 4-hydroxy-3,5-dimethoxy-Benzoic acid Gallic acid 3,5-dimethyl ether Syringate syringate syringic acid
kegg.compound:C10833 keggC:C10833 JMSVCTWVEWCHDZ-UHFFFAOYSA-N	Syringic acid 4-Hydroxy-3,5-dimethoxybenzoate Gallic acid 3,5-dimethyl ether Syringate
envipath:...59ab3cfd3250 envipathM:...59ab3cfd3250 JMSVCTWVEWCHDZ-UHFFFAOYSA-M	compound 0049676
metacyc.compound:CPD-8486 metacycM:CPD-8486 JMSVCTWVEWCHDZ-UHFFFAOYSA-M	syringate 4-hydroxy-3,5-dimethoxybenzoate syringic acid
CHEBI:68329 chebi:68329 JMSVCTWVEWCHDZ-UHFFFAOYSA-N	syringic acid 4-hydroxy-3,5-dimethoxybenzoic acid Cedar acid Gallic acid 3,5-dimethyl ether
hmdb:HMDB02085 chebi:9379 keggC:M_C10833 seedM:M_cpd07719	secondary/obsolete/fantasy identifier