KEGG   COMPOUND: C14754Help
Entry
C14754                      Compound                               

Name
Zearalanone;
(S)-Zearalanone
Formula
C18H24O5
Exact mass
320.1624
Mol weight
320.3802
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 5975-78-0
PubChem: 17395752
ChEBI: 35051
ChEMBL: CHEMBL491499
NIKKAJI: J398.387K
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    20.3436  -19.9979
            2   C8y C    20.3436  -21.4074
            3   C8x C    21.5417  -22.1122
            4   C8y C    22.8103  -21.4074
            5   C8y C    22.8103  -19.9979
            6   C8y C    21.5417  -19.2931
            7   O1a O    21.5417  -17.8836
            8   O1a O    19.1455  -22.1122
            9   C7x C    24.0084  -19.2931
            10  O7x O    25.2065  -19.9979
            11  C1y C    26.4046  -19.2931
            12  C1x C    27.6027  -19.9979
            13  C1x C    28.8007  -19.2931
            14  C1x C    29.9988  -19.9979
            15  C5x C    29.9988  -21.4074
            16  O5x O    31.1970  -22.1122
            17  C1x C    28.8007  -22.1122
            18  C1x C    27.6027  -21.4074
            19  C1x C    26.4046  -22.1122
            20  C1x C    25.2065  -21.4074
            21  C1x C    24.0084  -22.1122
            22  O6a O    24.0084  -17.8836
            23  C1a C    26.4046  -17.8836
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     2   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21   4 1
            23    9  22 2
            24   11  23 1 #Up

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