LMPK12140367
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.9844   10.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9844    9.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8594    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7344    9.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7344   10.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8594   10.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6093    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4843    9.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4843   10.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6093   10.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3590   10.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2508   10.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1427   10.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1427   11.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2508   12.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3590   11.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6093    7.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1094   10.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2508   13.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1481   12.4035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4843   11.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3277    5.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3905    5.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9902    6.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1880    8.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6145    8.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8934    7.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6275    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6562    6.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9562    7.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2221    7.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5219    8.6822    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
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  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 19  1  1  0  0  0  0
 15 20  1  0  0  0  0
 21 14  1  0  0  0  0
  9 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12140367

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside

> <FORMULA>
C21H22O12

> <MASS>
466.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FOIXCNDPSRKKCK-JRAOJMNRSA-N

> <INCHI>
InChI=1S/C21H22O12/c22-7-15-17(27)18(28)19(29)20(32-15)31-13-4-9(23)5-14-16(13)12(26)6-21(30,33-14)8-1-2-10(24)11(25)3-8/h1-5,15,17-20,22-25,27-30H,6-7H2/t15-,17-,18+,19-,20-,21+/m1/s1

> <SMILES>
C1(O)=CC2O[C@](O)(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607973

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$