LMPK12070059
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0            999 V2000
    8.6721   -4.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6721   -5.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872   -6.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024   -5.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024   -4.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872   -4.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1176   -6.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9328   -5.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9328   -4.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1176   -4.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7476   -6.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7476   -7.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192   -7.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4907   -7.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4907   -6.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192   -5.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1260   -7.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8570   -4.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3058   -7.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5750   -6.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192   -4.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   -3.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192   -8.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   -9.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5116   -5.2721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5388   -6.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0     0  0
 21 22  1  0     0  0
 23 24  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 18  1  1  0     0  0
 12 17  1  0     0  0
 14 19  1  0     0  0
 16 21  1  0     0  0
 13 23  1  0     0  0
  8 25  1  6     0  0
  7 26  1  6     0  0
M  END
> <LM_ID>
LMPK12070059

> <COMMON_NAME>
9-O-Methylphilenopteran

> <SYSTEMATIC_NAME>
(6aR,11aR)-3-Hydroxy-7,9,10-trimethoxypterocarpan

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNSUUSMDEZNFQE-ZBEGNZNMSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-20-13-7-14(21-2)17(22-3)18-15(13)11-8-23-12-6-9(19)4-5-10(12)16(11)24-18/h4-7,11,16,19H,8H2,1-3H3/t11-,16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101935228

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100165

> <CITATION>
-

$$$$