LMPK12020216
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.2529    7.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2529    6.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515    6.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500    6.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500    7.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515    7.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3485    6.3246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0471    6.7279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0471    7.5346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3485    7.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7456    7.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4576    7.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1696    7.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1696    8.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4576    9.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7456    8.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3485    5.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515    8.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2529    9.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2529    9.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515   10.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8681    9.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7456    6.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6428    6.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515    5.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8485    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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
  7 17  1  1  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20  1  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
  8 25  1  1  0  0  0
  3 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020216

> <COMMON_NAME>
3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H26O6

> <MASS>
386.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AKUNVGUOSVISDJ-VWPQPMDRSA-N

> <INCHI>
InChI=1S/C22H26O6/c1-12(2)5-10-15-16(24)11-17(26-3)18-19(25)22(27-4)20(28-21(15)18)13-6-8-14(23)9-7-13/h5-9,11,19-20,22-25H,10H2,1-4H3/t19-,20+,22-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185685

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257167

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$