KEGG   COMPOUND: C17090
Entry
C17090                      Compound                               
Name
alpha-Cyperone
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.3346
Structure
Other DBs
CAS: 473-08-5
PubChem: 96023565
ChEBI: 80919
NIKKAJI: J438.375C
LinkDB
KCF data

ATOM        16
            1   C1x C    20.4507  -15.0921
            2   C1y C    20.4507  -16.5482
            3   C1x C    19.2026  -17.2416
            4   C2y C    18.0239  -16.5482
            5   C1z C    18.0239  -15.0921
            6   C1x C    19.2026  -14.3987
            7   C2y C    16.8452  -17.2416
            8   C5x C    15.5971  -16.5482
            9   C1x C    15.5971  -15.0921
            10  C1x C    16.8452  -14.3987
            11  O5x O    14.4183  -17.1722
            12  C1a C    16.8452  -18.6283
            13  C2c C    21.6294  -17.2416
            14  C2a C    22.8081  -16.5482
            15  C1a C    21.6294  -18.6283
            16  C1a C    18.0239  -13.7054
BOND        17
            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     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13    7  12 1
            14    2  13 1 #Up
            15   13  14 2
            16   13  15 1
            17    5  16 1 #Up

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