LMPK12020235
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
   11.4781    7.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4781    6.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3516    6.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2249    6.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2249    7.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3516    8.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0983    6.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9718    6.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9718    7.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0983    8.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8452    8.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7259    7.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6068    8.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6068    9.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7259    9.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8452    9.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6047    8.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5740    7.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1717    8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5740    9.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516    6.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4099    5.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9394    8.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4326    8.1581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6864    7.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5098    6.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5864    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8448    7.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0212    8.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2795    8.6452    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
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  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
 26 17  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12020235

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside

> <FORMULA>
C22H24O9

> <MASS>
432.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DAAHQQTYFSSUOU-AUSUTTJNSA-N

> <INCHI>
InChI=1S/C22H24O9/c23-9-18-19(24)20(25)21(26)22(31-18)29-13-4-1-11-2-5-14(30-16(11)8-13)12-3-6-15-17(7-12)28-10-27-15/h1,3-4,6-8,14,18-26H,2,5,9-10H2/t14-,18+,19+,20-,21+,22+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@H](C3C=CC4OCOC=4C=3)CCC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257175

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 82256

> <CITATION>
-

$$$$