LMPK12100067
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.8501   10.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   11.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5775   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5775    9.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410    9.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3044    9.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3044   10.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410   11.3718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    9.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    9.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410    8.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    7.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    6.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2998    6.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2998    7.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    9.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865   11.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605   10.8367    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  1  0  0  0  0
  6  7  2  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100067

> <COMMON_NAME>
Obtusaquinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H16O3

> <MASS>
256.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol

> <INCHI_KEY>
OUERCVVUXKKXCW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H16O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12,17-18H,1H2,2H3

> <SMILES>
C1(OC)C(O)=CC(C(C2C=CC=CC=2)C=C)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10467594

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2805526

> <CITATION>
-

$$$$