LMPK12020029
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    7.6769   11.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6769   10.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371    9.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3973   10.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3973   11.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371   11.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2574    9.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1175   10.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1175   11.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2574   11.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778   11.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8449   11.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7122   11.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7122   12.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8449   13.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778   12.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5423   13.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8169   11.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    9.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371    8.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7255    8.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110    6.6328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9515    5.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0893    8.1712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9719    8.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    8.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8371    7.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9574    6.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0836    7.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2038    6.6621    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
 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
 29 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
 28 29  1  0     0  0
 29 30  1  6     0  0
 25 19  1  1     0  0
 26 21  1  6     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
M  END
> <LM_ID>
LMPK12020029

> <COMMON_NAME>
Afzelechin 3-O-alpha-L-rhamnopyranoside

> <SYSTEMATIC_NAME>
(2R,3S)-3,5,7,4'-Tetrahydroxyflavan 3-O-alpha-L-rhamnopyranoside

> <FORMULA>
C21H24O9

> <MASS>
420.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SQJLTDFIOMWZDE-QUYVSAIISA-N

> <INCHI>
InChI=1S/C21H24O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-7,9,16-27H,8H2,1H3/t9-,16-,17-,18+,19+,20+,21-/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44584170

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 61133

> <CITATION>
-

$$$$