LMPK12112495
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.6806   10.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805    9.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416    8.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4023    9.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4025   10.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416   10.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2635    8.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243    9.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1244   10.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2635   10.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2635    7.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851   10.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   10.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7401   10.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7400   11.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   12.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851   11.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8199   10.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1950    8.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6701   12.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416    7.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   13.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6238   10.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669   13.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3589   10.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9579    9.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7066    8.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6897    6.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0623    7.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8785    5.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0680    8.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9493    8.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8253    8.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8168    7.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9354    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9269    5.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0942    4.9569    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
 14 23  1  0  0  0  0
 16 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 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 19  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>
LMPK12112495

> <COMMON_NAME>
Syringetin 3-glucuronide

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone 3-glucuronide

> <FORMULA>
C23H22O14

> <MASS>
522.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DIWWVZPWHQBEMJ-USFRMQJTSA-N

> <INCHI>
InChI=1S/C23H22O14/c1-33-11-3-7(4-12(34-2)14(11)26)19-20(15(27)13-9(25)5-8(24)6-10(13)35-19)36-23-18(30)16(28)17(29)21(37-23)22(31)32/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)/t16-,17-,18+,21-,23+/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=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)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102039025

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 44976

> <CITATION>
-

$$$$