LMPK12020264
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    9.7051   10.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7051    9.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008    8.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4963    9.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4963   10.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008   10.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3919    8.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2874    9.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2874   10.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3919   10.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1831   10.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862   10.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9893   10.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9893   11.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862   12.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1831   11.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8910   12.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8097   10.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862   13.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    7.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5826    5.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8420    4.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1209    5.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8631    7.5558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7291    7.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7220    6.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8489    5.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9956    7.0614    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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  3  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
 25 20  1  1     0  0
 26 21  1  6     0  0
 27 22  1  1     0  0
 28 23  1  6     0  0
M  END
> <LM_ID>
LMPK12020264

> <COMMON_NAME>
Viscutin 3

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxyflavan 5-O-beta-xylopyranoside

> <FORMULA>
C20H22O9

> <MASS>
406.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PZVKVKGBUIREFM-OPTDIUSFSA-N

> <INCHI>
InChI=1S/C20H22O9/c21-10-6-16-11(2-4-15(28-16)9-1-3-12(22)13(23)5-9)17(7-10)29-20-19(26)18(25)14(24)8-27-20/h1,3,5-7,14-15,18-26H,2,4,8H2/t14-,15+,18+,19-,20+/m1/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)CCC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178335927

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1874191

> <CITATION>
-

$$$$