Results for:
PubChem ID: 10742

4-hydroxy-3,5-dimethoxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names	SYRINGIC ACID 530-57-4 4-Hydroxy-3,5-dimethoxybenzoic acid 3,5-Dimethoxy-4-hydroxybenzoic acid Cedar acid Gallic acid 3,5-dimethyl ether Benzoic acid, 4-hydroxy-3,5-dimethoxy- NSC 2129 3,5-Dimethoxy-4-hydroxybenzyl acid EINECS 208-486-8 BRN 2115262 UNII-E390O181H5 CHEBI:68329 AI3-24376 NSC-2129 MFCD00002552 4-Hydroxy-3,5-dimethoxy-benzoic acid E390O181H5 CHEMBL1414 DTXSID0060191 4-10-00-01995 (Beilstein Handbook Reference) 4-Hydroxy-3,5-dimethoxybenzoicacid 2,6-DIMETHOXY-4-CARBOXYPHENOL 3,5-dimethoxy-4-oxidanyl-benzoic acid Syringlicacid SYRA SpecPlus_000485 Spectrum3_001866 Spectrum5_000963 Syringic acid, >=95% bmse000607 bmse010206 SCHEMBL42751 BSPBio_003312 SYRINGIC ACID [INCI] DivK1c_006581 3,5-Dimethyl-4-hydroxybenzoate DTXCID2041337 3,5-dimethyl ether Gallic Acid KBio1_001525 KBio3_002814 3,5-Dimethoxy-4-hydroxybenzoate NSC2129 HMS3885G17 Syringic acid, analytical standard HY-N0339 BBL012974 BDBM50187132 s3629 STL163855 3,5-dimethoxy-4-hydroxy benzoic acid AKOS000269664 AC-7975 CCG-214218 MCULE-6314465100 PS-8244 NCGC00178148-01 1ST40130 SY005479 DB-022071 CS-0008899 G0014 NS00001894 EN300-117146 3 pound not5-DIMETHOXY-4-HYDROXYBENZOICACID Q408428 Q-100604 BRD-K51980294-001-01-9 F3157-0001 Z1255360342 3,5-Dimethoxy-4-hydroxybenzoic acid, 4-Hydroxy-3,5-dimethoxy-benzoic acid IJP 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
Microorganism:	No
IUPAC name	4-hydroxy-3,5-dimethoxybenzoic acid
SMILES	COC1=CC(=CC(=C1O)OC)C(=O)O
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)
Formula	C9H10O5
PubChem ID	10742
Molweight	198.17
LogP	1
Atoms	14
Bonds	3
H-bond Acceptor	5
H-bond Donor	2
Chemical Classification	ethers acids benzenoids carboxylic acids aromatic compounds organic acids phenols
CHEBI-ID	68329
Supernatural-ID	SN0169652

mVOC Specific Details

Boiling Point	Degree Reference 440 median
MS-Links	MS-MS Spectrum 5706 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative MS-MS Spectrum 179962 MS-MS Spectrum 182295 MS-MS Spectrum 5707 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative MS-MS Spectrum 239547 MS-MS Spectrum 201838 MS-MS Spectrum 179963 MS-MS Spectrum 5705 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative MS-MS Spectrum 182297 MS-MS Spectrum 201839 MS-MS Spectrum 5703 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative MS-MS Spectrum 179961 MS-MS Spectrum 1990 - Quattro_QQQ 10V N/A delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 182296 MS-MS Spectrum 1991 - Quattro_QQQ 25V N/A delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 1992 - Quattro_QQQ 40V N/A delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 5704 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-Links	GC-MS Spectrum 3343
1D-NMR-Links	1D NMR Spectrum 5083 1D NMR Spectrum 4170 1D NMR Spectrum 5084 1D NMR Spectrum 3895 1D NMR Spectrum 1848 - Varian 500 MHz 1H NMR
Massbank-Links	Massbank Spectrum MSBNK-BAFG-CSL2311108863 Massbank Spectrum MSBNK-BAFG-CSL2311108864 Massbank Spectrum MSBNK-BAFG-CSL2311108865 Massbank Spectrum MSBNK-BAFG-CSL2311108866 Massbank Spectrum MSBNK-BAFG-CSL2311108867 Massbank Spectrum MSBNK-BAFG-CSL2311108868 Massbank Spectrum MSBNK-BAFG-CSL2311108869 Massbank Spectrum MSBNK-BAFG-CSL2311108870 Massbank Spectrum MSBNK-Keio_Univ-KO001812 Massbank Spectrum MSBNK-Keio_Univ-KO001813 Massbank Spectrum MSBNK-Keio_Univ-KO001814 Massbank Spectrum MSBNK-Keio_Univ-KO001815 Massbank Spectrum MSBNK-Keio_Univ-KO001816 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS065507

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Agaricus Blazei na Korea Kim et al. 2008 Eukaryota Sparassis Crispa na Korea Kim et al. 2008
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Agaricus Blazei na HPLC yes Eukaryota Sparassis Crispa na HPLC yes