LMPK12070054
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.8609   10.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8609    9.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611    9.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4613    9.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4613   10.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611   10.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    9.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0617    9.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0617   10.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616   10.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8616    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8616    8.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7172    7.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5728    8.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5728    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7172    9.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    8.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   10.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7172    6.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7450    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3730    7.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6189    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070054

> <COMMON_NAME>
Methylnissolin

> <SYSTEMATIC_NAME>
3-Hydroxy-9,10-dimethoxypterocarpan

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UOVGCLXUTLXAEC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3

> <SMILES>
C1(O)C=CC2C3OC4=C(OC)C(OC)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034008

> <CHEBI_ID>
174866

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319733

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 29752

> <CITATION>
-

$$$$