LMPK12112911
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.5842    9.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5842    8.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    7.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879    8.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879    9.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    9.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1399    7.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9918    8.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9918    9.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1399    9.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1399    6.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8433    9.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7116    9.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5797    9.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5797   10.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7116   11.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8433   10.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0094    7.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4477   11.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    6.7285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7116   12.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109    7.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1023    8.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7497    8.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4760    7.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4594    5.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8656    5.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6586    4.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8712    6.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7413    7.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6060    6.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5976    5.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7275    5.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7191    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8971    3.8582    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
  3 21  1  0  0  0  0
 16 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 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>
LMPK12112911

> <COMMON_NAME>
Patuletin 3-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O14

> <MASS>
508.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VBYFRNFQCXODLK-NBHZVLNVSA-N

> <INCHI>
InChI=1S/C22H20O14/c1-33-18-9(25)5-10-11(12(18)26)13(27)19(17(34-10)6-2-3-7(23)8(24)4-6)35-22-16(30)14(28)15(29)20(36-22)21(31)32/h2-5,14-16,20,22-26,28-30H,1H3,(H,31,32)/t14-,15-,16+,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(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13940615

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$