LMPK12020026
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    7.4563   10.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4563    9.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319    8.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2074    9.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2074   10.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319   11.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0831    8.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587    9.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587   10.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0831   11.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8343   11.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7171   10.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   11.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   12.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7171   12.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8343   12.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4450   12.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807   11.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8343    8.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319    7.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6594    9.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8735    7.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2772    5.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1642    7.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1796    4.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4508    8.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667    8.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9693    7.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6765    6.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7607    6.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4723    5.4724    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  6  0  0  0
  3 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 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  0     0  0
 30 31  1  1     0  0
 27 21  1  6     0  0
 28 22  1  6     0  0
 29 23  1  6     0  0
 26 19  1  1     0  0
M  END
> <LM_ID>
LMPK12020026

> <COMMON_NAME>
Epiafzelechin 3-O-beta-D-allopyranoside

> <SYSTEMATIC_NAME>
2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-3-yl]oxy-6-(hydroxymethyl) oxane-3,4,5-triol

> <FORMULA>
C21H24O10

> <MASS>
436.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XWMNERHJDTUVJN-PUWMBYMRSA-N

> <INCHI>
InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-6,15-28H,7-8H2/t15-,16-,17-,18-,19-,20-,21-/m1/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](CO)O3)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257057

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1882416

> <CITATION>
-

$$$$