23 24  0  0  1  0  0  0  0  0999 V2000
   20.3435  -19.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3435  -21.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5416  -22.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8102  -21.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8102  -19.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5416  -19.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5416  -17.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1454  -22.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0083  -19.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2064  -19.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4045  -19.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6026  -19.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8007  -19.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9988  -19.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9988  -21.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1970  -22.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8007  -22.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6026  -21.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4045  -22.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2064  -21.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0083  -22.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0083  -17.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4045  -17.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  6  7  1  0     0  0
  2  8  1  0     0  0
  5  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  1     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21  4  1  0     0  0
  9 22  2  0     0  0
 11 23  1  1     0  0
M  END
> <ID>
CHEBI:35072

> <NAME>
beta-Zearalenol

> <STAR>
2

> <SYNONYM>
beta-Zearalenol; beta-trans-Zearalenol

> <FORMULA>
C18H24O5

> <MASS>
320.381

> <MONOISOTOPIC_MASS>
320.16237

> <CHARGE>
0

> <SMILES>
C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1

> <INCHI>
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1

> <INCHIKEY>
FPQFYIAXQDXNOR-PMRAARRBSA-N

> <CAS_REGISTRY_NUMBER>
71030-11-0

> <KEGG_COMPOUND_ACCESSION>
C14751

$$$$