LMPK12120411
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.2870    7.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9978    6.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7085    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7085    7.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9978    7.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392    6.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5499    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1287    6.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    6.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1287    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    7.3076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7061    7.7151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0000    7.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    6.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    5.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1182    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    8.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6784    8.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0115    9.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2  8  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  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 10  1  0  0  0  0
 16 17  2  0  0  0  0
 12 18  1  1  0  0  0
 13 19  1  1  0  0  0
 20 19  1  0  0  0  0
 20 21  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120411

> <COMMON_NAME>
Cryptocaryone

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O4

> <MASS>
282.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PTLQMLWEJRHXDU-MOZFJGCWSA-N

> <INCHI>
InChI=1S/C17H14O4/c18-13(7-6-11-4-2-1-3-5-11)17-12-10-16(20)21-15(12)9-8-14(17)19/h1-9,12,15,18H,10H2/b7-6+,17-13-/t12-,15-/m1/s1

> <SMILES>
C1=CC=CC=C1/C=C/C(/O)=C1/C(=O)C=C[C@H]2OC(C[C@@H]/12)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607660

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$