LMPK12020076
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    9.5164    8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5164    7.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3803    7.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2440    7.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2440    8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3803    9.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079    7.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9719    7.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9719    8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079    9.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8356    9.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7096    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5832    9.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5832   10.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7096   10.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8356   10.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8356    7.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4472   10.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3803    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7096   11.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524    7.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7884    7.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    7.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524    9.3532    0.0000 O   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
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020076

> <COMMON_NAME>
6-Prenylcatechin

> <SYSTEMATIC_NAME>
(2R,3S)-3,5,7,3',4'-Pentahydroxy-6-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>
IQDFKWMQHFUYNY-FXAWDEMLSA-N

> <INCHI>
InChI=1S/C20H22O6/c1-10(2)3-5-12-15(22)9-18-13(19(12)25)8-17(24)20(26-18)11-4-6-14(21)16(23)7-11/h3-4,6-7,9,17,20-25H,5,8H2,1-2H3/t17-,20+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185548

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21626714

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 124794

> <CITATION>
-

$$$$