LMPK12070028
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.0971   -6.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340   -7.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6577   -7.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1445   -6.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6076   -5.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5838   -5.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1681   -6.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6551   -5.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1180   -4.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0943   -4.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0735   -6.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8747   -7.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7983   -6.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6623   -5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7452   -7.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5565   -6.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4207   -5.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4736   -5.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0277   -5.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9256   -7.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5196   -6.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3448   -6.3621    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>
-

$$$$