LMPK12112501
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.4387   -7.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3129   -8.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4790  -10.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733  -11.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6676   -8.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5229   -8.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4600   -8.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5419   -9.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6891  -10.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7520   -9.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991  -10.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860   -6.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860   -5.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550   -5.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244   -5.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1936   -5.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1936   -4.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244   -3.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550   -4.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0627   -5.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244   -2.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0627   -3.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9316   -4.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1744   -5.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1744   -6.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0272   -7.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801   -6.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801   -5.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0272   -5.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7332   -7.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7332   -5.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7332   -7.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0272   -8.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3083   -5.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  6     0  0
  7  2  1  6     0  0
  8  3  1  6     0  0
  9  4  1  1     0  0
  6  1  1  1     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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12  1  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
 27 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  2  0  0  0  0
 26 33  1  0  0  0  0
 24 34  1  0     0  0
 30 12  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112501

> <COMMON_NAME>
Mearnsitrin

> <SYSTEMATIC_NAME>
3,3',5,5',7-Pentahydroxy-4'-methoxyflavone 3-rhamnoside

> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(4-Methoxy-3,5-dihydroxyphenyl)-3-(6-deoxy-alpha-L-mannopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; Mearnsetin 3-rhamnoside

> <INCHI_KEY>
NAQNISJXKDSYJD-DHWIRCOFSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1

> <SMILES>
O(C1C(=O)C2=C(OC=1C1C=C(O)C(OC)=C(O)C=1)C=C(O)C=C2O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
167827

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6918652

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 139012

> <CITATION>
-

$$$$