KEGG   COMPOUND: C16949
Entry
C16949                      Compound                               

Name
Dehydrocurdione
Formula
C15H22O2
Exact mass
234.162
Mol weight
234.334
Structure
Other DBs
CAS: 38230-32-9
PubChem: 96023436
ChEBI: 80816
KNApSAcK: C00011732
NIKKAJI: J17.412B
KCF data

ATOM        17
            1   C2y C    30.8363  -27.3985
            2   C5x C    30.8363  -28.8264
            3   C1x C    32.0728  -29.5403
            4   C2y C    33.3093  -28.8264
            5   C5x C    33.3093  -27.3985
            6   C1x C    32.0728  -26.6846
            7   C2x C    29.5997  -26.6846
            8   C1x C    28.3631  -27.3985
            9   C1x C    28.3631  -28.8264
            10  C1y C    29.5997  -29.5403
            11  C2c C    34.5649  -29.5515
            12  C1a C    35.7941  -28.8420
            13  C1a C    34.5646  -30.9680
            14  O5x O    34.5649  -26.6734
            15  O5x O    30.8363  -30.2542
            16  C1a C    29.5997  -30.9679
            17  C1a C    30.8363  -25.9985
BOND        17
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     1   6 1
            6     1   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    2  10 1
            11    4  11 2
            12   11  12 1
            13   11  13 1
            14    5  14 2
            15    2  15 2
            16   10  16 1 #Up
            17    1  17 1

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