KEGG   COMPOUND: C14750Help
Entry
C14750                      Compound                               

Name
alpha-Zearalenol;
trans-Zearalenol
Formula
C18H24O5
Exact mass
320.1624
Mol weight
320.3802
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C14750  alpha-Zearalenol
BRITE hierarchy
Other DBs
CAS: 36455-72-8
PubChem: 17395748
ChEBI: 35065
ChEMBL: CHEMBL371463
PDB-CCD: 36J[PDBj]
NIKKAJI: J126.257B
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    16.6600  -17.2900
            2   C8y C    16.6600  -18.6900
            3   C8x C    17.8500  -19.3900
            4   C8y C    19.1100  -18.6900
            5   C8y C    19.1100  -17.2900
            6   C8y C    17.8500  -16.5900
            7   O1a O    17.8500  -15.1900
            8   O1a O    15.4700  -19.3900
            9   C7x C    20.3000  -16.5900
            10  O7x O    21.4900  -17.2900
            11  C1y C    22.6800  -16.5900
            12  C1x C    23.8700  -17.2900
            13  C1x C    25.0600  -16.5900
            14  C1x C    26.2500  -17.2900
            15  C1y C    26.2500  -18.6900
            16  O1a O    27.4400  -19.3900
            17  C1x C    25.0600  -19.3900
            18  C1x C    23.8700  -18.6900
            19  C1x C    22.6800  -19.3900
            20  C2x C    21.4900  -18.6900
            21  C2x C    20.3000  -19.3900
            22  O6a O    20.3000  -15.1900
            23  C1a C    22.6800  -15.1900
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 1 #Down
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 2
            22   21   4 1
            23    9  22 2
            24   11  23 1 #Up

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