LMPK12140217
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.6860    7.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6860    6.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0579    6.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0579    7.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    7.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7438    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4298    6.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4298    7.4888    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7438    7.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1157    7.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8149    7.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5139    7.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5139    8.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8149    9.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1157    8.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7438    5.5086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    5.5086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2528    5.0000    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  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
  7 17  2  0  0  0  0
  3 20  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140217

> <COMMON_NAME>
Pinocembrin 5,7-dimethyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O4

> <MASS>
284.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IAFBOKYTDSDNHV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3

> <SMILES>
C1(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
110206

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
378567

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$