LMPK12112479
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.6290    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6290    7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5255    7.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4220    7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4220    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5255    9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185    7.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2148    7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2148    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185    9.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1111    9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0245    8.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9382    9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9382   10.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0245   10.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1111   10.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5255    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1111    7.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8346   10.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8346    8.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0245   11.7831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9209   12.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5607    7.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5465    5.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8088    4.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9571    7.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2547    4.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8288    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6918    7.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6834    6.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8146    5.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9515    6.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0826    5.6624    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
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 20 15  1  0  0  0  0
  1 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 22  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>
LMPK12112479

> <COMMON_NAME>
Laricitrin 5'-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>
RUJHFBFKZCYVLZ-ROSPJSJWSA-N

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

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5487255

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$