LMPK12050415
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   10.2430   11.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1316   10.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0223   11.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9127   10.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9127    9.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8363    9.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7598    9.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7598   10.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8363   11.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1318    9.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0223    9.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8363    8.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6483    9.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6486    8.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5314    7.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4141    8.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4141    9.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5314    9.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0223    8.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3027    9.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    9.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3027    7.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5314    6.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1519    6.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0643    8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    8.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4242    9.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5215    9.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4422   10.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7497   12.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3392   12.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2940   11.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8846   10.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308   10.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913   11.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006   11.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2611   12.7219    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  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
 11 19  1  0  0  0  0
 17 20  1  0  0  0  0
 10 21  1  0  0  0  0
 16 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0     0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 32  1  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
M  END
> <LM_ID>
LMPK12050415

> <COMMON_NAME>
Irigenin 7-O-glucoside

> <SYSTEMATIC_NAME>
7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C24H26O13

> <MASS>
522.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Iridin

> <INCHI_KEY>
LNQCUTNLHUQZLR-OZJWLQQPSA-N

> <INCHI>
InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=C(O)C2C(=O)C(C3C=C(O)C(OC)=C(OC)C=3)=COC=2C=1

> <KEGG_ID>
C10465

> <HMDB_ID>
-

> <CHEBI_ID>
5963

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 26378

> <CITATION>
-

$$$$