LMPK12112545
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5942   10.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5942    9.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    8.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3182    9.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3182   10.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562   10.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1803    8.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0423    9.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0423   10.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1803   10.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1803    7.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040   10.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7823   10.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   10.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   11.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7823   12.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040   11.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   10.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9703    8.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5390   12.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7823   13.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    7.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8924    7.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7781    7.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9384    5.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2930    4.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2265    7.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7425    4.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0515    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9554    7.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0344    6.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2118    5.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079    6.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4852    5.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5472    5.9577    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
  1 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 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  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 34 35  2  0     0  0
M  END
> <LM_ID>
LMPK12112545

> <COMMON_NAME>
Azaleatin 3-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O13

> <MASS>
492.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MCCCCNNUPFVKQQ-NTKSAMNMSA-N

> <INCHI>
InChI=1S/C22H20O13/c1-32-11-5-8(23)6-12-13(11)14(26)19(18(33-12)7-2-3-9(24)10(25)4-7)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259532

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$