LMPK12140190
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.7155    7.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    5.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    7.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    5.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5785    6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5785    7.0660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8628    7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2940    7.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0236    7.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7531    7.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7531    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0236    8.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2940    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    5.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    8.3054    0.0000 C   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140190

> <COMMON_NAME>
Cryptostrobin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QSRIZZQWNHKERT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3

> <SMILES>
C1(O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15953986

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$