LMPK12140673
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2735    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    6.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823    5.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    6.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823    7.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    5.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1084    6.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1084    7.0454    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3997    7.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8168    7.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2613    7.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2613    8.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    8.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8168    8.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    5.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    9.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8185    7.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9834    8.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6922    8.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    7.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9965    8.5536    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
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 14 22  1  0  0  0  0
  6 24  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140673

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone

> <FORMULA>
C18H18O7

> <MASS>
346.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MMTSVOIHKKKIHX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O7/c1-22-13-5-4-9(6-10(13)19)14-7-11(20)16-12(21)8-15(23-2)17(24-3)18(16)25-14/h4-6,8,14,19,21H,7H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196389

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13871369

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$