KEGG   COMPOUND: C17002
Entry
C17002                      Compound                               
Name
Neocnidilide
Formula
C12H18O2
Exact mass
194.1307
Mol weight
194.2701
Structure
Other DBs
CAS: 4567-33-3
PubChem: 96023487
ChEBI: 80853
NIKKAJI: J397.497I
LinkDB
KCF data

ATOM        14
            1   C1x C    21.7821  -29.3416
            2   C1x C    21.7821  -30.7423
            3   C2x C    22.9951  -31.4427
            4   C2y C    24.2083  -30.7423
            5   C1y C    24.2083  -29.3416
            6   C1x C    22.9951  -28.6412
            7   C7x C    25.5405  -31.1751
            8   O7x O    26.3638  -30.0420
            9   C1y C    25.5405  -28.9088
            10  C1b C    25.9111  -27.5643
            11  C1b C    27.2598  -27.1863
            12  C1b C    27.6068  -25.8291
            13  C1a C    28.9555  -25.4511
            14  O6a O    25.9719  -32.5026
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 1 #Down
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    7  14 2

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