LMPK12100072
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.4339    8.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4339    8.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1645    7.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8948    8.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8948    8.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1645    9.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    7.7177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6252    8.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556    8.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    9.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035    7.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    6.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3296    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3296    6.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2704    7.8906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035    9.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
 10  5  2  0  0  0  0
  2 11  2  0  0  0  0
  7 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100072

> <COMMON_NAME>
(R)-4-Methoxydalbergione

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O3

> <MASS>
254.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RGSUZUQISVAJJF-GFCCVEGCSA-N

> <INCHI>
InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3/t12-/m1/s1

> <SMILES>
C1(OC)=CC(=O)C([C@@]([H])(C2C=CC=CC=2)C=C)=CC1=O

> <KEGG_ID>
C10505

> <HMDB_ID>
-

> <CHEBI_ID>
66703

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442809

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$