LMPK12020231
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.1351    7.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1351    6.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8159    6.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8159    7.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    8.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6562    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4966    6.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4966    7.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6562    8.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3370    8.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935    7.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0499    8.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0499    9.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935    9.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3370    9.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    9.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8902    9.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.7756    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
  6 17  1  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020231

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4'-Hydroxy-7-methoxy-8-methylflavan

> <FORMULA>
C17H18O3

> <MASS>
270.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JMZFKVHPHJWAFE-INIZCTEOSA-N

> <INCHI>
InChI=1S/C17H18O3/c1-11-15(19-2)9-5-13-6-10-16(20-17(11)13)12-3-7-14(18)8-4-12/h3-5,7-9,16,18H,6,10H2,1-2H3/t16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185058

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257174

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 670083

> <CITATION>
-

$$$$