LMPK12120418
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0     0  0            999 V2000
    6.0606    9.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9781    7.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8953    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8953    9.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9781    9.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9781   10.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7691    9.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5963    9.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7691   10.6132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201    9.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4590    9.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4590    8.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3763    7.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2938    8.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2938    9.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3763    9.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528    7.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528    6.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4214    6.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2648    6.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  4 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120418

> <COMMON_NAME>
Infectocaryone

> <SYSTEMATIC_NAME>
methyl 2-[(1R,6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxocyclohex-3-en-1-yl]acetate

> <FORMULA>
C18H18O4

> <MASS>
298.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(1R)-5-Oxo-6-(1-hydroxy-3-phenyl-2-propenylidene)-3-cyclohexenyl acetic acid methyl ester

> <INCHI_KEY>
HAXYQNFQUDHACW-LVJWOEPNSA-N

> <INCHI>
InChI=1S/C18H18O4/c1-22-17(21)12-14-8-5-9-15(19)18(14)16(20)11-10-13-6-3-2-4-7-13/h2-7,9-11,14,20H,8,12H2,1H3/b11-10+,18-16-/t14-/m1/s1

> <SMILES>
C1C(=O)/C(=C(\O)/C=C/C2C=CC=CC=2)/[C@@H](CC(OC)=O)CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184790

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10379922

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
22027; 33090

> <CITATION>
-

$$$$