LMPK12140075
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2595    7.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2595    6.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651    5.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6706    6.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6706    7.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651    7.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241    5.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817    6.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817    7.1973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3762    7.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7869    7.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5120    7.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2373    7.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2373    8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5120    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7869    8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817    8.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9608    8.8596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9608    7.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241    5.2467    0.0000 O   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
  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
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
> <LM_ID>
LMPK12140075

> <COMMON_NAME>
Butin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H12O5

> <MASS>
272.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MJBPUQUGJNAPAZ-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1

> <SMILES>
C1(O)C=C2O[C@]([H])(C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1

> <KEGG_ID>
C09614

> <HMDB_ID>
-

> <CHEBI_ID>
27725

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92775

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$