LMPK12100073
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.7692   11.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6239   12.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782   11.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782   10.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641   10.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2501   10.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2501   11.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641   12.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7692   10.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6239   10.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641    9.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5147    8.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5147    7.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641    7.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2135    7.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2135    8.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149   10.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3369    9.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149   12.3524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.8591    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  8  3  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  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  2  0  0  0  0
  5 18  1  6  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100073

> <COMMON_NAME>
(S)-4'-Hydroxy-4-methoxydalbergione

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DLCVFIMWFKVRTM-LBPRGKRZSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-3-12(10-4-6-11(17)7-5-10)13-8-15(19)16(20-2)9-14(13)18/h3-9,12,17H,1H2,2H3/t12-/m0/s1

> <SMILES>
C1(OC)C(=O)C=C([C@]([H])(C2C=CC(O)=CC=2)C=C)C(=O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186818

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257558

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53862

> <CITATION>
-

$$$$