LMPK12140304
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.9490    7.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8383    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7276    7.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7276    8.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8383    9.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9490    8.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6170    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5063    7.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5063    8.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6170    9.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3945    9.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6170    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3069    8.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2194    9.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2194   10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3069   10.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3945   10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8383    6.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1300   10.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3945    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8383    9.5760    0.0000 Cl  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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
  6 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140304

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone

> <FORMULA>
C16H13O5Cl

> <MASS>
320.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZOHPKYIJNNAJAJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H13ClO5/c1-7-14(21)12-10(19)6-11(20)13(17)16(12)22-15(7)8-2-4-9(18)5-3-8/h2-7,15,18-20H,1H3

> <SMILES>
C1C(O)=C(Cl)C2OC(C3C=CC(O)=CC=3)C(C)C(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14779471

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
68212

> <CITATION>
2276973

$$$$