KEGG   COMPOUND: C16977
Entry
C16977                      Compound                               
Name
Isokobusone
Formula
C14H22O2
Exact mass
222.162
Mol weight
222.3233
Structure
Other DBs
PubChem: 96023463
ChEBI: 80838
KNApSAcK: C00012491
NIKKAJI: J2.380.724F
LinkDB
KCF data

ATOM        16
            1   C1z C    19.8800  -19.2500
            2   C1x C    19.8800  -20.6500
            3   C1y C    21.2800  -20.6500
            4   C1y C    21.2800  -19.2500
            5   C5x C    22.4924  -21.3500
            6   C1x C    23.7049  -20.6500
            7   C1x C    23.7049  -19.2500
            8   C1x C    22.4924  -18.5500
            9   C1x C    25.0364  -21.0826
            10  C1y C    25.8593  -19.9500
            11  C2y C    25.0364  -18.8174
            12  C2a C    25.4675  -17.4906
            13  O1a O    27.2300  -19.9500
            14  O5x O    22.4924  -22.7498
            15  C1a C    19.8701  -18.1201
            16  C1a C    18.6676  -19.2500
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     7   8 1
            8     4   8 1
            9     6   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   11  12 2
            14   10  13 1 #Up
            15    5  14 2
            16    1  15 1
            17    1  16 1

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