KEGG   COMPOUND: C20479
Entry
C20479                      Compound                               

Name
(+)-epi-alpha-Bisabolol;
(2S)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.3663
Structure
Reaction
Enzyme
Other DBs
PubChem: 163312216
ChEMBL: CHEMBL1561544 CHEMBL519167
KCF data

ATOM        16
            1   C1a C    13.1600  -16.1700
            2   C2c C    14.3724  -15.4700
            3   C2b C    15.5849  -16.1700
            4   C1b C    16.7973  -15.4700
            5   C1b C    18.0097  -16.1700
            6   C1d C    19.2222  -15.4700
            7   C1y C    20.4346  -16.1700
            8   C1a C    14.3724  -14.0702
            9   C1a C    19.8522  -14.1176
            10  O1a O    18.5922  -14.1176
            11  C1x C    20.4346  -17.5700
            12  C2x C    21.6470  -18.2700
            13  C2y C    22.8595  -17.5700
            14  C1x C    22.8595  -16.1700
            15  C1x C    21.6470  -15.4700
            16  C1a C    24.0946  -18.2834
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 1
            8     6   9 1 #Up
            9     6  10 1 #Down
            10    7  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 1
            15    7  15 1
            16   13  16 1

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