LMPK12112470
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5863   11.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931   10.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4473    9.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2944   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876   11.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336   11.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1486    9.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9955   10.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9888   11.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1346   11.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1539    9.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8359   11.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7060   11.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5697   11.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5626   12.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6921   13.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   12.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9923    9.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4134   13.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4540    8.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4205   11.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6921   14.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3908   14.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8001    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9605    6.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3151    5.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2485    7.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7647    5.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735    8.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9775    8.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0564    7.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2339    6.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3299    6.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    6.3648    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  1     0  0
M  END
> <LM_ID>
LMPK12112470

> <COMMON_NAME>
Laricitrin 3-galactoside

> <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-RUDOPCLYSA-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>
101416649

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$