LMPK12070058
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.4998   -4.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4998   -5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3426   -6.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1855   -5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1855   -4.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3426   -4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282   -6.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8710   -5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8711   -4.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282   -4.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7135   -6.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7135   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6147   -7.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5158   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5158   -6.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6147   -5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372   -7.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6569   -4.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3587   -7.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6147   -4.6409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6147   -8.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4502   -5.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5176   -6.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5150   -4.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7143   -9.1883    0.0000 C   0  0  0  0  0  0  0  0  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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
 13 21  1  0  0  0  0
 16 20  1  0  0  0  0
  8 22  1  6     0  0
  7 23  1  6     0  0
 20 24  1  0     0  0
 21 25  1  0     0  0
M  END
> <LM_ID>
LMPK12070058

> <COMMON_NAME>
Philenopteran

> <SYSTEMATIC_NAME>
(6aR,11aR)-3,9-Dihydroxy-7,10-dimethoxypterocarpan

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ANISVKAXQQBELV-BONVTDFDSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-20-13-6-11(19)16(21-2)17-14(13)10-7-22-12-5-8(18)3-4-9(12)15(10)23-17/h3-6,10,15,18-19H,7H2,1-2H3/t10-,15-/m0/s1

> <SMILES>
C1(O)C=CC2[C@]3([H])OC4=C(OC)C(O)=CC(OC)=C4[C@]3([H])COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12314157

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100165

> <CITATION>
-

$$$$