KEGG   COMPOUND: C16946
Entry
C16946                      Compound                               
Name
Cyperolone
Formula
C15H24O2
Exact mass
236.1776
Mol weight
236.3499
Structure
Other DBs
CAS: 13741-46-3
PubChem: 96023434
ChEBI: 80814
KNApSAcK: C00021910
NIKKAJI: J14.923C
LinkDB
KCF data

ATOM        17
            1   C1z C    31.0600  -27.7689
            2   C1z C    31.0600  -29.1486
            3   C1x C    32.2548  -29.8385
            4   C1y C    33.4498  -29.1486
            5   C1x C    33.4498  -27.7689
            6   C1x C    32.2548  -27.0791
            7   C1x C    29.7478  -27.3426
            8   C1x C    28.9368  -28.4588
            9   C1y C    29.7478  -29.5750
            10  O1a O    28.2904  -30.5305
            11  C5a C    31.0600  -30.5284
            12  C1a C    32.2548  -31.2182
            13  O5a O    29.8652  -31.2182
            14  C2c C    34.6630  -29.8493
            15  C2a C    35.8508  -29.1637
            16  C1a C    34.6627  -31.2181
            17  C1a C    31.0600  -26.3689
BOND        18
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    2   9 1
            11    9  10 1 #Up
            12    2  11 1 #Up
            13   11  12 1
            14   11  13 2
            15    4  14 1 #Up
            16   14  15 2
            17   14  16 1
            18    1  17 1 #Up

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