LMPK12020059
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
   10.8114    8.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8114    7.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6847    7.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5581    7.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5581    8.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6847    9.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4316    7.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3050    7.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3050    8.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4316    9.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1785    9.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0591    8.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9398    9.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9398   10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0591   10.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1785   10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7828   10.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6847    6.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9378    9.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1785    7.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0591   11.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9437    7.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419    6.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5513    7.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419    9.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0929    8.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0929    7.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419    7.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    7.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    8.7616    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  1  0  0  0
 15 21  1  0  0  0  0
 25 30  1  0     0  0
 30 29  1  0     0  0
 29 28  1  0     0  0
 28 27  1  0     0  0
 27 26  1  0     0  0
 26 25  1  0     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
 29 24  1  1     0  0
 26 19  1  1     0  0
M  END
> <LM_ID>
LMPK12020059

> <COMMON_NAME>
Polydine

> <SYSTEMATIC_NAME>
(2R,3S) -3,5,7,3'4'-Pentahydroxyflavan 7-O-alpha-arabinopyranoside

> <FORMULA>
C20H22O10

> <MASS>
422.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQKKDJWFQBNZBJ-UMBUOUCESA-N

> <INCHI>
InChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15-,17-,18+,19+,20-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257084

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 58048

> <CITATION>
-

$$$$