LMPK12112823
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.7581   12.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7809   11.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615   11.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191   11.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960   12.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6156   13.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996   11.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570   11.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2342   12.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3535   13.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175   10.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0911   13.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886   12.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   13.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390   14.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   14.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0677   14.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8779   13.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2891   10.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615   10.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7127   14.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1340   11.2212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310   11.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5191   14.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2602   10.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7754    8.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3209    6.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8185    9.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7801    6.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5473    9.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5329    9.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7899    8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0770    8.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3497    7.4287    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  6     0  0
M  END
> <LM_ID>
LMPK12112823

> <COMMON_NAME>
Betuletol 3-glucoside

> <SYSTEMATIC_NAME>
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4',6-dimethoxyflavone

> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNHYQVLYKVAVLP-XCSGUALTSA-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>
101642412

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4246

> <CITATION>
17226484

$$$$