LMPK12020270
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5737    9.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    8.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4147    7.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2558    8.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2558    9.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4147    9.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    7.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9378    8.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9378    9.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    9.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7788    9.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360    9.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4931    9.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4931   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360   11.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7788   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4147    6.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4948    6.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3343   11.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4144   10.7401    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
  1 17  1  0  0  0  0
 14 20  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020270

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-5,4'-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>
PVKZZNPKFFWKRA-HNNXBMFYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257196

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 82238

> <CITATION>
-

$$$$