LMPK12020239
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5828    7.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5828    6.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    6.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2842    6.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2842    7.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0722    6.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9858    6.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9858    7.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    8.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8359    8.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7104    7.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5847    8.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5847    9.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7104    9.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8359    9.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9858    9.0241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4573    7.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    9.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4573    9.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3081    9.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  0  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
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
  6 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020239

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,3'-Dihydroxy-4'-methoxy-8-methylflavan

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XVHKLOFEZNFSRF-HNNXBMFYSA-N

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

> <SMILES>
C1(O)C(C)=C2O[C@]([H])(C3C=CC(OC)=C(O)C=3)CCC2=CC=1

> <KEGG_ID>
C09646

> <HMDB_ID>
-

> <CHEBI_ID>
2244

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442358

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 228395

> <CITATION>
-

$$$$