KEGG   COMPOUND: C01014
Entry
C01014                      Compound                               
Name
3-Isopropylcatechol
Formula
C9H12O2
Exact mass
152.0837
Mol weight
152.1904
Structure
Other DBs
CAS: 2138-48-9
PubChem: 4259
ChEBI: 28708
NIKKAJI: J51.423C
LinkDB
KCF data

ATOM        11
            1   C8y C    21.5380  -16.5555
            2   C8y C    22.7617  -15.8379
            3   C1c C    21.5315  -17.9457
            4   C8x C    20.3268  -15.8379
            5   C8y C    22.7617  -14.4346
            6   O1a O    23.9663  -16.5362
            7   C1a C    20.3268  -18.6377
            8   C1a C    22.7361  -18.6442
            9   C8x C    20.3268  -14.4346
            10  C8x C    21.5380  -13.7362
            11  O1a O    23.9663  -13.7298
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    9  10 2

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