Results for:
PubChem ID: 780

2-(2,5-dihydroxyphenyl)acetic Acid

Mass-Spectra

Compound Details

Synonymous names	Homogentisic acid 451-13-8 2,5-Dihydroxyphenylacetic acid Alcapton Homogentisate acid Homogentisinic acid 2-(2,5-dihydroxyphenyl)acetic acid homogentisate (2,5-Dihydroxyphenyl)acetic acid Benzeneacetic acid, 2,5-dihydroxy- 2,5-Dihydroxybenzeneacetic acid 2,5-Dihydroxy-alpha-toluic acid Melanic acid 2,5-Dihydroxyphenylacetate 2,5-DHPOP Acetic acid, (2,5-dihydroxyphenyl)- BRN 2692860 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID 2,5-Dihydroxy-.alpha.-toluic acid NP8UE6VF08 MFCD00004324 NSC-88940 71694-00-3 2,5-dihydroxy-benzeneacetic acid EINECS 207-192-7 NSC 88940 UNII-NP8UE6VF08 Homogentisinate 1ajp 4aq6 2,5-Dihydroxy-a-toluate bmse000200 2,5-Dihydroxy-alpha-toluate 2,5-Dihydroxy-benzeneacetate 4-10-00-01506 (Beilstein Handbook Reference) 2,5-Dihydroxy-a-toluic acid Homogentisic acid, crystalline SCHEMBL155333 HOMOGENTISIC ACID [MI] (2,5-dihydroxyphenyl)-Acetate Benzeneacetic acid,5-dihydroxy- DTXSID1060005 Acetic acid,5-dihydroxyphenyl)- CHEBI:44747 2-(2,5-dihydroxyphenyl)aceticacid (2,5-dihydroxyphenyl)-Acetic acid NSC88940 s9352 Homogentisic acid, analytical standard AKOS004910342 DB08327 1ST40047 AS-19326 SY051598 DB-020087 HY-113283 CS-0059508 D1050 NS00015132 C00544 T70932 A826718 Q416054 W-109536 5A20D3D5-DF92-400D-AB62-07CC3E7DBFBB HQ9 InChI=1/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12
Microorganism:	No
IUPAC name	2-(2,5-dihydroxyphenyl)acetic acid
SMILES	C1=CC(=C(C=C1O)CC(=O)O)O
Inchi	InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
Formula	C8H8O4
PubChem ID	780
Molweight	168.15
LogP	0.5
Atoms	12
Bonds	2
H-bond Acceptor	4
H-bond Donor	3
Chemical Classification	acids benzenoids carboxylic acids phenols aromatic compounds organic acids
CHEBI-ID	44747
Supernatural-ID	SN0145024

mVOC Specific Details

MS-Links	MS-MS Spectrum 2996 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative MS-MS Spectrum 197 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 199 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 2993 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative MS-MS Spectrum 2994 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative MS-MS Spectrum 2995 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative MS-MS Spectrum 2997 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative MS-MS Spectrum 201556 MS-MS Spectrum 201555 MS-MS Spectrum 198 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 2999 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
1D-NMR-Links	1D NMR Spectrum 3084 - JEOL 22.53 MHz 13C NMR 1D NMR Spectrum 2389 - JEOL 400 MHz 1H NMR 1D NMR Spectrum 1100 - Bruker 600 MHz 1H NMR
Massbank-Links	Massbank Spectrum MSBNK-BGC_Munich-RP011801 Massbank Spectrum MSBNK-BGC_Munich-RP011802 Massbank Spectrum MSBNK-BGC_Munich-RP011803 Massbank Spectrum MSBNK-GL_Sciences_Inc-GLS00105 Massbank Spectrum MSBNK-Keio_Univ-KO001076 Massbank Spectrum MSBNK-Keio_Univ-KO001077 Massbank Spectrum MSBNK-Keio_Univ-KO001078 Massbank Spectrum MSBNK-Keio_Univ-KO001079 Massbank Spectrum MSBNK-Keio_Univ-KO001080 Massbank Spectrum MSBNK-Osaka_Univ-OUF00267 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS055907 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS055908 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT205590 Massbank Spectrum MSBNK-RIKEN-PR100707

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Pleurotus Ostreatus na Korea Kim et al. 2008 Eukaryota Flammulina Velutipes na Korea Kim et al. 2008 Eukaryota Inonotus Obliquus na Korea Kim et al. 2008 Eukaryota Phellinus Linteus na Korea Kim et al. 2008
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Pleurotus Ostreatus na HPLC yes Eukaryota Flammulina Velutipes na HPLC yes Eukaryota Inonotus Obliquus na HPLC yes Eukaryota Phellinus Linteus na HPLC yes