KEGG   COMPOUND: C00727
Entry
C00727                      Compound                               
Name
Orcinol;
5-Methyl-1,3-benzenediol;
5-Methylresorcinol;
3,5-Toluenediol;
3,5-Dihydroxytoluene
Formula
C7H8O2
Exact mass
124.0524
Mol weight
124.14
Structure
Reaction
R02830 R02831
Enzyme
1.14.13.6       4.1.1.58
Other DBs
CAS: 504-15-4
PubChem: 3992
ChEBI: 16536
KNApSAcK: C00002661
NIKKAJI: J6.215D
LinkDB
KCF data

ATOM        9
            1   C8y C    20.9105  -17.5739
            2   C8x C    20.9105  -16.1661
            3   C8x C    22.1137  -18.2844
            4   C1a C    19.7008  -18.2651
            5   C8y C    22.1137  -15.4684
            6   C8y C    23.3360  -17.5739
            7   C8x C    23.3360  -16.1661
            8   O1a O    22.1137  -14.0796
            9   O1a O    24.5455  -18.2651
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6   7 2

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