KEGG   COMPOUND: C17913
Entry
C17913                      Compound                               
Name
Isodehydrocostus lactone
Formula
C15H18O2
Exact mass
230.1307
Mol weight
230.3022
Structure
Other DBs
PubChem: 96024136
ChEBI: 81376
KNApSAcK: C00020714
LinkDB
KCF data

ATOM        17
            1   C1y C    26.3239  -20.7940
            2   C1y C    27.7242  -20.7940
            3   C1y C    28.6343  -21.8441
            4   C1x C    28.3543  -23.2444
            5   C1y C    25.4838  -21.9141
            6   C1x C    27.0941  -23.8745
            7   C2y C    25.8338  -23.2444
            8   C2y C    29.8945  -21.3541
            9   C7x C    29.8945  -19.9538
            10  O7x O    28.4943  -19.6038
            11  C2y C    25.5538  -19.6038
            12  C2x C    24.1536  -20.0238
            13  C1x C    24.1536  -21.4241
            14  C1a C    25.5538  -18.2035
            15  C2a C    24.7137  -24.1545
            16  C2a C    31.0847  -22.1242
            17  O6a O    31.0147  -19.1137
BOND        19
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15    5  13 1
            16   11  14 1
            17    7  15 2
            18    8  16 2
            19    9  17 2

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