LMPK12070053
  LIPID_MAPS_STRUCTURE_DATABASE

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.7038    7.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038    6.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624    6.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0209    6.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0209    7.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624    7.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6795    6.2195    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3381    6.5997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3381    7.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6795    7.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9964    6.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9964    5.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4047    5.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4047    6.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6795    5.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1536    5.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6559    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1780    6.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070053

> <COMMON_NAME>
Pterocarpin

> <SYSTEMATIC_NAME>
3-Methoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YLZYAUCOYZKLMA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3

> <SMILES>
C1(OC)C=CC2C3OC4=CC5OCOC=5C=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
454895

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$