LMPK12100077
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.4143    7.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329    7.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513    7.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513    6.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5697    6.2444    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8513    5.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5697    7.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4143    6.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329    6.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0024    7.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166    7.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167    6.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    6.2752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    5.8296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4351    7.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329    8.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    7.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7906    9.1434    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
 14 19  1  0  0  0  0
  2 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>
LMPK12100077

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

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XQFOJEJSFFKOCN-GFCCVEGCSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-4-12(10-5-7-11(18)8-6-10)13-9-14(19)16(21-2)17(22-3)15(13)20/h4-9,12,18H,1H2,2-3H3/t12-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184460

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257560

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$