Results for:
PubChem ID: 780

2-(2,5-dihydroxyphenyl)acetic Acid

Mass-Spectra

Compound Details

Synonymous names	HOMOGENTISICACID Homogentisinate homogentisate Homogentisinic acid Alcapton IGMNYECMUMZDDF-UHFFFAOYSA-N Homogentisic acid Homogentisate acid OMD Homogentisic acid, crystalline Melanic acid 1ajp HQ9 2,5-Dihydroxyphenylacetate Homogentisinic acid;Melanic acid. 4aq6 2,5-Dihydroxybenzeneacetic acid AC1L1A0B 2,5-Dihydroxyphenylacetic acid 2,5-Dihydroxyphenylacetic acid polymer Benzeneacetic acid,5-dihydroxy- 2,5-Dihydroxy-benzeneacetate NP8UE6VF08 2,5-dihydroxy-benzeneacetic acid UNII-NP8UE6VF08 2,5-DIHYDROXYPHENYLACETIC ACID(LACTONE) X6953 HMDB00130 CTK3J2031 NSC88940 SCHEMBL155333 VZ22772 DB08327 ZINC388428 bmse000200 C00544 Acetic acid,5-dihydroxyphenyl)- 2,5-Dihydroxy-alpha-toluate 2,5-DHPOP Benzeneacetic acid,2,5-dihydroxy- ACM451138 AK324218 DTXSID1060005 OR017615 OR183676 CHEBI:44747 2,5-Dihydroxy-a-toluate 2,5-Dihydroxy-alpha-toluic acid (2,5-Dihydroxyphenyl)acetic acid NSC 88940 LS-11780 NSC-88940 (2,5-dihydroxyphenyl)-Acetate CC-07789 ANW-43718 FCH1117442 2,5-Dihydroxy-a-toluic acid C-04987 MFCD00004324 ST50406743 RT-000174 DB-020087 Benzeneacetic acid, 2,5-dihydroxy- AKOS004910342 W-109536 (2,5-dihydroxyphenyl)-Acetic acid BRN 2692860 FT-0610384 2-(2,5-dihydroxyphenyl)acetic acid 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID Benzeneacetic acid, 3,4-dihydroxy-, homopolymer 2,5-Dihydroxy-.alpha.-toluic acid (2,5-Dihydroxy-phenyl)-acetic acid I14-106345 451-13-8 EINECS 207-192-7 71694-00-3 Acetic acid, (2,5-dihydroxyphenyl)- MolPort-003-936-134 4-10-00-01506 (Beilstein Handbook Reference) 2-(6-Oxidanyl-3-Oxidanylidene-Cyclohexa-1,4-Dien-1-Yl)ethanoic Acid 5A20D3D5-DF92-400D-AB62-07CC3E7DBFBB 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:	Yes
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	168.148
LogP	1
Atoms	20
Bonds	20
H-bond Acceptor	4
H-bond Donor	3
Chemical Classification	carboxylic acids alcohols benzenoids

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

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