LMPK12020077
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    7.5967    8.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5967    7.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604    7.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3243    7.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3243    8.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1883    7.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0521    7.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0521    8.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1883    9.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9161    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7898    8.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6637    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6637   10.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7898   10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9161   10.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9161    7.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277   10.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7898   11.5644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604   10.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5967   10.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5967   11.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604   12.0459    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
  8 17  1  1  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020077

> <COMMON_NAME>
8-Prenylcatechin

> <SYSTEMATIC_NAME>
(2R,3S)-3,5,7,3',4'-Pentahydroxy-8-prenylflavan

> <FORMULA>
C20H22O6

> <MASS>
358.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SOSNZGAHBIGOGO-RBUKOAKNSA-N

> <INCHI>
InChI=1S/C20H22O6/c1-10(2)3-5-12-15(22)9-16(23)13-8-18(25)19(26-20(12)13)11-4-6-14(21)17(24)7-11/h3-4,6-7,9,18-19,21-25H,5,8H2,1-2H3/t18-,19+/m0/s1

> <SMILES>
C1(O)C(C/C=C(\C)/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>
21626715

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 124794

> <CITATION>
-

$$$$