LMPK12070051
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    8.4639   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9495   -6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9331   -6.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317   -5.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9461   -5.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9623   -5.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4153   -6.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9139   -5.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4284   -4.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446   -4.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4803   -5.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0679   -6.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9699   -6.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8744   -5.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8654   -6.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6656   -6.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705   -5.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6746   -4.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4981   -4.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0084   -6.8975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5613   -6.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9623   -7.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1488   -8.3284    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  0
 15 22  1  0     0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMPK12070051

> <COMMON_NAME>
(-)-Nissolin

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-10-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FPRVFTCYJRERLF-FZMZJTMJSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-19-16-12(18)5-4-9-11-7-20-13-6-8(17)2-3-10(13)14(11)21-15(9)16/h2-6,11,14,17-18H,7H2,1H3/t11-,14-/m0/s1

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

> <KEGG_ID>
C10508

> <HMDB_ID>
-

> <CHEBI_ID>
105

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442812

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 29752

> <CITATION>
-

$$$$