LMPK12100074
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.8723   12.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   12.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5774   12.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5940   11.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781   10.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3622   11.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3622   12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4530   12.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8884   11.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7490   10.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    9.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6304    9.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6304    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    7.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3257    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3257    9.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358   10.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4489   10.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    6.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0197   12.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2718    6.3606    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
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100074

> <COMMON_NAME>
(S)-4,4'-Dimethoxydalbergione

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O4

> <MASS>
284.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FSNITHOUQGJHTR-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C17H16O4/c1-4-13(11-5-7-12(20-2)8-6-11)14-9-16(19)17(21-3)10-15(14)18/h4-10,13H,1H2,2-3H3/t13-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
174861

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53862

> <CITATION>
-

$$$$