LMPK12111296
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.5008    8.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5008    7.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3869    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731    7.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731    8.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3869    9.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0455    7.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0455    8.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592    9.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9314    9.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8346    8.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376    9.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376   10.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8346   10.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9314   10.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3869    6.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1018   10.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8346    7.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3869   10.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7777    9.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0178   10.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1333   11.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4621   13.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584   14.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149   12.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2281   15.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7657   11.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7815   12.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4463   12.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0945   13.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0787   13.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7269   14.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7227   14.2393    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
  3 18  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
  1 22  1  0  0  0  0
  6 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 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  1     0  0
 30 19  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 35 36  2  0     0  0
M  END
> <LM_ID>
LMPK12111296

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide

> <FORMULA>
C23H22O13

> <MASS>
506.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MBIYPXWFHDINAY-USFRMQJTSA-N

> <INCHI>
InChI=1S/C23H22O13/c1-32-13-7-10(26)14-9(25)6-12(34-20(14)19(13)33-2)15-8(24)4-3-5-11(15)35-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-24,26-29H,1-2H3,(H,30,31)/t16-,17-,18+,21-,23+/m0/s1

> <SMILES>
C1(OC)=C(OC)C2OC(C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)=CC=CC=3O)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258546

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$