LMPK12020276
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.1260    9.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1260    8.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9576    7.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891    8.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891    9.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9576    9.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6205    7.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4520    8.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4520    9.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6205    9.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2835    9.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1309    9.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9783    9.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9783   10.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1309   11.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2835   10.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8097   11.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9576    6.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0253    6.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  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
  3 20  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020276

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4'-Hydroxy-5,7-dimethoxyflavan

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AVMGPGZQJKDABF-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-19-13-9-16(20-2)14-7-8-15(21-17(14)10-13)11-3-5-12(18)6-4-11/h3-6,9-10,15,18H,7-8H2,1-2H3/t15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14137569

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 224860

> <CITATION>
-

$$$$