LMPK12112471
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5905   11.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049   10.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631   10.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3068   10.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2925   11.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4343   12.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1651   10.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089   10.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9945   11.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1362   12.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1764    9.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8457   12.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7129   11.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5804   12.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5804   13.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7129   13.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8456   13.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0127    9.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4316   13.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    9.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4317   11.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7129   14.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6054   15.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0052    9.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8382    7.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792    6.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8493    8.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2591    5.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4294    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4256    8.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8420    8.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2624    7.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2662    7.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6867    6.4892    0.0000 C   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 22  1  0  0  0  0
 16 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
M  END
> <LM_ID>
LMPK12112471

> <COMMON_NAME>
Laricitrin 3-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ODXINVOINFDDDD-CLXWZIMCSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18+,19-,22+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101682256

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$