LMPK12140450
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.7169    7.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    6.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4395    5.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1564    6.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    7.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370    7.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8777    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    7.0781    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8753    7.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3145    7.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0326    7.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7516    7.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7515    8.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0324    8.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3133    8.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    5.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4174    7.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0898    7.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4366    8.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4366    9.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1556    9.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7175    9.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    9.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7175   10.7933    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  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 22  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140450

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IGCZWOGVHOOOEO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-10(2)20(24)27-15-5-4-11(6-17(15)25-3)16-9-14(23)19-13(22)7-12(21)8-18(19)26-16/h4-8,10,16,21-22H,9H2,1-3H3

> <SMILES>
C1(O)C=C2OC(C3C=CC(OC(C(C)C)=O)=C(OC)C=3)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039775

> <CHEBI_ID>
175782

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608010

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$