LMPK12070126
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0  0  0  0  0  0  0  0999 V2000
   11.1958    6.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5587    7.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4299    8.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3766    9.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5533    9.6668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750    9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8524    9.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296    9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296    8.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8524    7.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750    8.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1829    7.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1829    6.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0136    6.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8441    6.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8441    7.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0136    8.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7564    6.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3201    7.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7564    8.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2605    8.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8935    6.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    9.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 11  2  1  0  0  0  0
  3 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  3 21  1  1  0  0  0
  1 13  1  0  0  0  0
  2 22  1  1  0  0  0
  8 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070126

> <COMMON_NAME>
(+)-Pisatin

> <SYSTEMATIC_NAME>
6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LZMRDTLRSDRUSU-SJORKVTESA-N

> <INCHI>
InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1

> <SMILES>
O1C2C=C3OCOC3=CC=2[C@@]2(O)COC3C([C@@]12[H])=CC=C(OC)C=3

> <KEGG_ID>
C10516

> <HMDB_ID>
-

> <CHEBI_ID>
67347

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101689

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3888

> <CITATION>
-

$$$$