LMPK12050349
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.6002   10.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5147   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289   10.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    9.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    8.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3252    9.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3252   10.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769   10.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    9.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5147    8.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    7.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2724    8.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2724    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1789    7.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0851    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0851    8.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1789    9.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8586    7.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5147    7.8067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8305   10.7412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1560    8.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1247    8.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7921    6.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1788    5.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4952    4.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8410    6.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4896    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4762    7.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8097    6.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1611    5.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4948    4.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 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
 18 15  1  0  0  0  0
 10 19  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
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12050349

> <COMMON_NAME>
Prunetin 4'-O-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prunetrin

> <INCHI_KEY>
OFUWGCQDMVDLIR-RECXWPGBSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1

> <SMILES>
C1(OC)C=C(O)C2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78742

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16398538

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$