LMPK12112815
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5864   11.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5988   11.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4259   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2405   11.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281   11.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4010   12.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0676   10.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8822   11.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8698   12.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0427   12.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0676    9.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6841   12.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5270   12.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3572   12.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3445   13.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5016   13.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6714   13.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7499   12.4482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8491   10.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4259    9.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1745   13.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   10.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8822   13.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8174    9.8996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4888    8.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1924    6.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5360    8.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7229    5.9888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1851    9.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1694    9.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5045    8.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8564    7.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8721    7.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2241    6.8560    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
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 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>
LMPK12112815

> <COMMON_NAME>
Betuletol 3-galactoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNHYQVLYKVAVLP-LTGKLFRMSA-N

> <INCHI>
InChI=1S/C23H24O12/c1-31-10-5-3-9(4-6-10)20-22(35-23-19(30)18(29)15(26)13(8-24)34-23)17(28)14-12(33-20)7-11(25)21(32-2)16(14)27/h3-7,13,15,18-19,23-27,29-30H,8H2,1-2H3/t13-,15+,18+,19-,23+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259728

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$