KEGG   COMPOUND: C01839Help
Entry
C01839                      Compound                               

Name
Orsellinate;
o-Orsellinic acid;
2,4-Dihydroxy-6-methylbenzoic acid;
2,4-Dihydroxy-6-methylbenzoate;
4,6-Dihydroxy-o-toluic acid
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
3.1.1.40        4.1.1.58
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1301 Monocyclic aromatic polyketides
    C01839  Orsellinic acid
BRITE hierarchy
Other DBs
CAS: 480-64-8
PubChem: 4958
ChEBI: 32807
ChEMBL: CHEMBL457583
LIPIDMAPS: LMPK13010001
KNApSAcK: C00000487
PDB-CCD: 6X7[PDBj]
3DMET: B00357
NIKKAJI: J6.167K
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    22.1200  -15.0908
            2   C8y C    20.9095  -15.7888
            3   C8y C    23.3370  -15.7888
            4   C6a C    22.1137  -13.7009
            5   C8x C    20.9095  -17.1979
            6   C1a C    19.7053  -15.0908
            7   C8x C    23.3370  -17.1979
            8   O1a O    24.5475  -15.0908
            9   O6a O    23.3177  -12.9963
            10  O6a O    20.9030  -13.0026
            11  C8y C    22.1200  -17.9090
            12  O1a O    22.1137  -19.3752
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11   11  12 1
            12    7  11 1

» Japanese version

DBGET integrated database retrieval system