KEGG   COMPOUND: C16773
Entry
C16773                      Compound                               
Name
Bisabolol oxide A
Formula
C15H26O2
Exact mass
238.1933
Mol weight
238.3657
Structure
Other DBs
CAS: 22567-36-8
PubChem: 96023297
ChEBI: 197106 80719
KNApSAcK: C00011651
NIKKAJI: J16.290F
LinkDB
KCF data

ATOM        17
            1   C1y C    28.4200  -21.6300
            2   C1x C    28.4200  -23.0300
            3   C2x C    29.6100  -23.7300
            4   C2y C    30.8000  -23.0300
            5   C1x C    30.8000  -21.6300
            6   C1x C    29.6100  -20.9300
            7   C1a C    32.0600  -23.7300
            8   C1z C    27.1600  -20.9300
            9   C1x C    27.1600  -19.5300
            10  C1x C    25.9700  -18.8300
            11  C1y C    24.7800  -19.5300
            12  C1z C    24.7800  -20.9300
            13  O2x O    25.9700  -21.6300
            14  C1a C    27.1600  -22.3300
            15  C1a C    23.5200  -21.6300
            16  C1a C    23.5200  -20.2300
            17  O1a O    23.5200  -18.8300
BOND        18
            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     1   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    8  14 1 #Down
            16   12  15 1
            17   12  16 1
            18   11  17 1 #Up

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