LMPK12070028
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7333   -6.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2487   -7.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2315   -7.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6988   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1834   -5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2005   -5.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6815   -6.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1490   -5.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334   -4.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506   -4.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506   -6.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3598   -6.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2465   -6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1159   -5.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1555   -6.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9343   -6.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8040   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8948   -4.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5067   -4.8581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4487   -6.9305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8589   -6.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6511   -6.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
  8 19  1  6  0  0  0
  7 20  1  6  0  0  0
 16 21  1  0     0  0
 21 22  1  0     0  0
M  END
> <LM_ID>
LMPK12070028

> <COMMON_NAME>
(-)-Medicarpin

> <SYSTEMATIC_NAME>
[6aR,11aR,(-)]-6a,11a-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol

> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NSRJSISNDPOJOP-BBRMVZONSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
C10503

> <HMDB_ID>
-

> <CHEBI_ID>
100

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
336327

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3879

> <CITATION>
-

$$$$