LMPK12020244
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.1349    7.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1349    6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9752    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8156    6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8156    7.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9752    8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6560    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4962    6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4962    7.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6560    8.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365    8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1930    7.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0494    8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0494    9.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1930    9.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365    9.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8899    9.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1930   10.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    8.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020244

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3',4'-Dihydroxy-7-methoxyflavan

> <FORMULA>
C16H16O4

> <MASS>
272.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RFPAIRSYRWTZLD-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C16H16O4/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3/t15-/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](C3C=C(O)C(O)=CC=3)CCC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180155

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14157886

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3805

> <CITATION>
-

$$$$