LMPK12100076
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.7258    9.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026    9.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    9.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3557    7.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    7.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3557    9.6405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7258    8.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026    7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1039    9.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9754    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9754    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1037    7.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8492    7.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322    7.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8492    9.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026   10.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3380   11.0774    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  1  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  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100076

> <COMMON_NAME>
(R)-3,4-Dimethoxydalbergione

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O4

> <MASS>
284.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LJEJBLOFFDLRIH-GFCCVEGCSA-N

> <INCHI>
InChI=1S/C17H16O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12H,1H2,2-3H3/t12-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185140

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
115019

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 225113

> <CITATION>
-

$$$$