KEGG   COMPOUND: C16774
Entry
C16774                      Compound                               
Name
Bisabolol oxide B
Formula
C15H26O2
Exact mass
238.1933
Mol weight
238.3657
Structure
Other DBs
CAS: 55399-12-7
PubChem: 96023298
ChEBI: 80720
KNApSAcK: C00034802
NIKKAJI: J266.988I
LinkDB
KCF data

ATOM        17
            1   C1y C    26.6823  -17.0191
            2   C1x C    26.6823  -18.4198
            3   C2x C    27.8729  -19.1201
            4   C2y C    29.0635  -18.4198
            5   C1x C    29.0635  -17.0191
            6   C1x C    27.8729  -16.3187
            7   C1a C    30.3242  -19.1201
            8   C1z C    25.4664  -16.3237
            9   C1x C    25.3142  -14.9294
            10  C1x C    23.9410  -14.6433
            11  C1y C    23.2446  -15.8609
            12  O2x O    24.1874  -16.8994
            13  C1a C    26.6579  -15.5429
            14  C1d C    21.8619  -15.8717
            15  O1a O    20.4612  -15.8717
            16  C1a C    21.8697  -17.4364
            17  C1a C    21.8571  -14.6393
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    8  12 1
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   14  16 1
            18   14  17 1

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