LMPK12020161
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.1251    9.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1251    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556    7.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7861    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7861    9.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556    9.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4470    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4470    9.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    9.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2776    9.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    9.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    9.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704   10.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240   11.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2776   10.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556   10.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1251   10.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1251   11.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556   12.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   12.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556    6.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0222    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    6.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6832    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  3 22  1  0  0  0  0
  1 24  1  0  0  0  0
  7 26  1  1  0  0  0
M  END
> <LM_ID>
LMPK12020161

> <COMMON_NAME>
Quercetol B

> <SYSTEMATIC_NAME>
4,5,7-Trihydroxy-8-prenylflavan

> <FORMULA>
C23H28O4

> <MASS>
368.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QYAYIWOQUZDATC-AZUAARDMSA-N

> <INCHI>
InChI=1S/C23H28O4/c1-15(2)11-12-17-19(24-3)14-21(26-5)22-20(25-4)13-18(27-23(17)22)16-9-7-6-8-10-16/h6-11,14,18,20H,12-13H2,1-5H3/t18-,20+/m0/s1

> <SMILES>
C1(OC)=C(C/C=C(/C)\C)C2O[C@H](C3C=CC=CC=3)C[C@@H](OC)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185730

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257133

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$