LMPK12050348
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.5907    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5907    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3680    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3680    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    9.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1452    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1452    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566    9.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566    7.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    7.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8688    6.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8053    6.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7416    6.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7416    7.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8053    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8688    7.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6776    6.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    9.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    9.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8483   11.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208   12.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8108   13.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516   11.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3396   13.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535   10.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   11.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8311   12.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   12.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5362   12.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4312   12.6709    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
  3 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
 15 19  1  0  0  0  0
 18  8  1  0  0  0  0
  1 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>
LMPK12050348

> <COMMON_NAME>
Prunetin 8-C-glucoside

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-7-methoxyisoflavone 8-C-glucoside

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKERMUTWRDCMCE-LWMOOPSISA-N

> <INCHI>
InChI=1S/C22H22O10/c1-30-13-6-12(25)15-17(26)11(9-2-4-10(24)5-3-9)8-31-21(15)16(13)22-20(29)19(28)18(27)14(7-23)32-22/h2-6,8,14,18-20,22-25,27-29H,7H2,1H3/t14-,18-,19+,20-,22+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101270820

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1357585

> <CITATION>
-

$$$$