LMPK15030066
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
    6.2250   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5551   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231   -5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5551   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2872   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2872   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1532   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  3  8  1  0     0  0
  1  9  1  0     0  0
  5 10  1  0     0  0
  8 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  7 15  1  0     0  0
  7 16  2  0     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
 14 21  1  0     0  0
 21 20  1  0     0  0
 21 22  1  6     0  0
 17 23  1  1     0  0
M  END
> <LM_ID>
LMPK15030066

> <COMMON_NAME>
alpha-zearalenol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H24O5

> <MASS>
320.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FPQFYIAXQDXNOR-QDKLYSGJSA-N

> <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

> <SMILES>
C1(O)=CC(O)=CC2C=CCCC[C@@H](O)CCC[C@H](C)OC(=O)C1=2

> <KEGG_ID>
C14750

> <HMDB_ID>
-

> <CHEBI_ID>
35065

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284645

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1755421

> <CITATION>
38629616

$$$$