LMPK12140641
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    9.5645   11.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5645   10.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4404    9.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164   10.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164   11.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4404   11.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1923   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4404    8.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8126   11.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8126   10.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886    9.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0683   11.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9443   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9443   12.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0683   13.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1923   12.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164   13.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886   12.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9366   11.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886    8.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8126   13.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164   14.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0683   10.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9978    9.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5020    7.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0782    6.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6077    8.7082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5700    6.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211    9.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2858    9.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5373    8.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8254    7.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8607    7.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1488    7.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648    7.2208    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  3  8  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
  7 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  7  1  0  0  0  0
 13 24  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 24  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 36 37  2  0     0  0
M  END
> <LM_ID>
LMPK12140641

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide

> <FORMULA>
C24H26O13

> <MASS>
522.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFJFVYFDSGLIGK-ZGDVWDTRSA-N

> <INCHI>
InChI=1S/C24H26O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-6,8,13,17-19,22,24,26-29H,7H2,1-3H3,(H,30,31)/t13-,17-,18-,19+,22-,24+/m0/s1

> <SMILES>
C12C(OC)=C(OC)C=C(O)C=1C(=O)C[C@@H](C1C(OC)=CC=CC=1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13889016

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$