KEGG   COMPOUND: C14751Help
Entry
C14751                      Compound                               

Name
beta-Zearalenol;
beta-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
    C14751  beta-Zearalenol
BRITE hierarchy
Other DBs
CAS: 71030-11-0
PubChem: 17395749
ChEBI: 35072
ChEMBL: CHEMBL372840
PDB-CCD: ZHB[PDBj]
NIKKAJI: J126.258K
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    20.3435  -19.9978
            2   C8y C    20.3435  -21.4073
            3   C8x C    21.5416  -22.1121
            4   C8y C    22.8102  -21.4073
            5   C8y C    22.8102  -19.9978
            6   C8y C    21.5416  -19.2930
            7   O1a O    21.5416  -17.8835
            8   O1a O    19.1454  -22.1121
            9   C7x C    24.0083  -19.2930
            10  O7x O    25.2064  -19.9978
            11  C1y C    26.4045  -19.2930
            12  C1x C    27.6026  -19.9978
            13  C1x C    28.8007  -19.2930
            14  C1x C    29.9988  -19.9978
            15  C1y C    29.9988  -21.4073
            16  O1a O    31.1970  -22.1121
            17  C1x C    28.8007  -22.1121
            18  C1x C    27.6026  -21.4073
            19  C1x C    26.4045  -22.1121
            20  C2x C    25.2064  -21.4073
            21  C2x C    24.0083  -22.1121
            22  O6a O    24.0083  -17.8835
            23  C1a C    26.4045  -17.8835
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 #Up
            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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