KEGG   COMPOUND: C17094
Entry
C17094                      Compound                               

Name
beta-Elemene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Other DBs
CAS: 33880-83-0
PubChem: 96023569
ChEBI: 62854 62855
ChEMBL: CHEMBL448502
KNApSAcK: C00007453
NIKKAJI: J308.554F
KCF data

ATOM        15
            1   C1y C    31.8991  -22.3299
            2   C1x C    31.8991  -23.7024
            3   C1y C    33.0878  -24.3887
            4   C1x C    34.2765  -23.7024
            5   C1x C    34.2765  -22.3299
            6   C1z C    33.0878  -21.6436
            7   C2c C    33.0878  -25.7610
            8   C1a C    31.8827  -26.4570
            9   C2a C    34.2599  -26.4379
            10  C2b C    33.0878  -20.2712
            11  C2c C    30.7105  -21.6436
            12  C2a C    32.3027  -19.3036
            13  C2a C    30.7105  -20.2710
            14  C1a C    29.5385  -22.3204
            15  C1a C    34.4135  -20.8080
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     7   8 1
            9     7   9 2
            10    6  10 1 #Down
            11    1  11 1 #Up
            12   10  12 2
            13   11  13 2
            14   11  14 1
            15    6  15 1 #Up

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