LMPK12020261
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    9.6891    9.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891    8.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5623    8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4354    8.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4354    9.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5623   10.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3085    8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1815    8.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1815    9.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3085   10.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0547   10.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9351    9.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8155   10.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8155   11.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9351   11.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0547   11.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6946   11.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161   10.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5584    7.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5445    5.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8409    4.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1564    5.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8615    7.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    6.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    5.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8477    5.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0055    5.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    6.6289    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  2  0  0  0  0
  6  1  1  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
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 19  3  1  0  0  0  0
 28 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 24 19  1  1     0  0
 25 20  1  6     0  0
 26 21  1  1     0  0
 27 22  1  6     0  0
M  END
> <LM_ID>
LMPK12020261

> <COMMON_NAME>
Apigeniflavan 5-O-xyloside

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxyflavan 5-O-xyloside

> <FORMULA>
C20H22O8

> <MASS>
390.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VPEUIUGPXMAUGW-OPTDIUSFSA-N

> <INCHI>
InChI=1S/C20H22O8/c21-11-3-1-10(2-4-11)15-6-5-13-16(27-15)7-12(22)8-17(13)28-20-19(25)18(24)14(23)9-26-20/h1-4,7-8,14-15,18-25H,5-6,9H2/t14-,15+,18+,19-,20+/m1/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CCC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257188

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 142765

> <CITATION>
-

$$$$