LMPK12112433
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.5968    9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5968    8.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4613    8.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256    8.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256    9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4613   10.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1901    8.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0546    8.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0546    9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1901   10.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1901    7.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9187   10.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7998    9.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6807   10.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6807   11.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7998   12.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9187   11.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4613    7.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9187    8.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7998   13.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5884   11.9908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792    8.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1061    8.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3852    7.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6351    7.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9492    7.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1061    7.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792    9.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5614    9.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9492    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8137    6.3606    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
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 23  1  0  0  0  0
 24 28  1  6  0  0  0
 23 29  1  1  0  0  0
 25 20  1  1  0  0  0
 14 30  1  0  0  0  0
 27 31  1  6  0  0  0
 31 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112433

> <COMMON_NAME>
Myricetin 3-alpha-L-arabinofuranoside

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl) -3- (alpha-L-arabinofuranosyloxy) -4H-1-benzopyran-4-one

> <FORMULA>
C20H18O12

> <MASS>
450.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Betmidin

> <INCHI_KEY>
OXJKSVCEIOYZQL-IEGSVRCHSA-N

> <INCHI>
InChI=1S/C20H18O12/c21-5-12-15(27)17(29)20(31-12)32-19-16(28)13-8(23)3-7(22)4-11(13)30-18(19)6-1-9(24)14(26)10(25)2-6/h1-4,12,15,17,20-27,29H,5H2/t12-,15-,17+,20-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168235

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14524431

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 137693

> <CITATION>
-

$$$$