LMPK04000016
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
    9.3241    8.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3282    7.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1906    9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    7.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5993    8.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0574    8.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5993    7.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0657    7.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2032    6.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9197    9.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9363    7.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7821    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7988    7.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9447    6.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6405    9.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6695    7.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5154    8.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5280    7.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3778    9.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  6  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
  7  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK04000016

> <COMMON_NAME>
Zearalenone

> <SYSTEMATIC_NAME>
(3S,11E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

> <FORMULA>
C18H22O5

> <MASS>
318.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Macrolides and lactone polyketides [PK04]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
Mycotoxin F2

> <INCHI_KEY>
MBMQEIFVQACCCH-QBODLPLBSA-N

> <INCHI>
InChI=1S/C18H22O5/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/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1

> <SMILES>
C12C=CCCCC(CCC[C@H](C)OC(=O)C1=C(O)C=C(O)C=2)=O

> <KEGG_ID>
C09981

> <HMDB_ID>
-

> <CHEBI_ID>
10106

> <ABBREVIATION>
-

> <CAYMAN_ID>
11353

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281576

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5518; 5518

> <CITATION>
5641272

$$$$