LMPK12020031
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   10.9783    8.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9783    7.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488    7.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488    8.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636    9.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6340    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5193    7.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5193    8.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6340    9.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4046    9.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2971    8.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1898    9.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1898   10.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2971   10.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4046   10.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0442   10.9265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0931    9.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4046    7.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636    6.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    8.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6179    8.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8715    8.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142    8.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2977    9.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6179    7.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8715    7.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6179    8.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1246    0.0000 O   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
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  1  0  0  0
  3 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  1  1  0  0  0
 23 27  1  6  0  0  0
 24 18  1  1  0  0  0
 22 28  1  1  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020031

> <COMMON_NAME>
Afzelechin 7-O-beta-D-apiofuranoside

> <SYSTEMATIC_NAME>
(2R,3S)-3,5,7,4'-Tetrahydroxyflavan 7-O-beta-D-apiofuranoside

> <FORMULA>
C20H22O9

> <MASS>
406.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BJBAEYMVZJJUEM-AXDKOMKPSA-N

> <INCHI>
InChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2/t15-,17+,18-,19-,20+/m0/s1

> <SMILES>
C1(O[C@@H]2OC[C@@](CO)(O)[C@H]2O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184546

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257062

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 38390

> <CITATION>
-

$$$$