LMPK12050042
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.6225    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6225    8.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4921    8.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3617    8.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3617    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4921   10.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2313    8.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1008    8.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1008    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2313   10.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2313    7.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7533   10.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    6.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8218    6.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382    6.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382    7.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8218    8.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    7.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6540    6.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6540    8.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2342    8.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061   11.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062   13.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422   14.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3143   11.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012   14.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434   11.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   11.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5755   12.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435   13.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1808   13.0582    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
  1 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18  8  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  6  1  1     0  0
M  END
> <LM_ID>
LMPK12050042

> <COMMON_NAME>
Pueraria glycoside 3

> <SYSTEMATIC_NAME>
8-(beta-D-Glucopyranosyloxy)-3',7-dihydroxy-4'-methoxyisoflavone

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HQQUZVFMUSCUJS-PGPONNFDSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-30-14-6-9(2-4-12(14)24)11-8-31-21-10(17(11)26)3-5-13(25)16(21)22-20(29)19(28)18(27)15(7-23)32-22/h2-6,8,15,18-20,22-25,27-29H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC=C(C3C=CC(O)=C(OC)C=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319485

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3892

> <CITATION>
-

$$$$