LMPK12100075
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.1929   10.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9241   10.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550   10.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    9.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    8.8792    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1710    9.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1710   10.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131   10.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1929    9.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9241    8.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    8.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6862    7.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6862    6.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    6.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398    6.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398    7.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946    9.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2454    8.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    6.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6143   10.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0403    5.2475    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
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100075

> <COMMON_NAME>
(S)-3'-Hydroxy-4,4'-dimethoxydalbergione

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BJJFYNLYABNPSS-NSHDSACASA-N

> <INCHI>
InChI=1S/C17H16O5/c1-4-11(10-5-6-16(21-2)14(19)7-10)12-8-15(20)17(22-3)9-13(12)18/h4-9,11,19H,1H2,2-3H3/t11-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
67394

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257559

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$