LMPK12070138
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.2913   -8.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2913   -9.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033  -10.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151   -9.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151   -8.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033   -8.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7269  -10.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -9.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -8.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7269   -8.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3503  -10.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3503  -11.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2182  -11.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862  -11.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862  -10.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2182   -9.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7293  -11.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8980  -11.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8980  -13.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794   -8.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794   -6.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3505   -8.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3932   -8.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2462  -10.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0454   -9.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0     0  0
 20 21  1  0     0  0
 22 23  1  0     0  0
  1  2  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  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
 14 18  1  0     0  0
  1 20  1  0     0  0
  9 22  1  6     0  0
  7 24  1  6     0  0
  8 25  1  6     0  0
M  END
> <LM_ID>
LMPK12070138

> <COMMON_NAME>
6alpha-Methoxyhomopterocarpin

> <SYSTEMATIC_NAME>
(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KGZXHPWOBPVKDK-BZSNNMDCSA-N

> <INCHI>
InChI=1S/C18H18O5/c1-19-10-4-6-12-14(8-10)22-17-13-7-5-11(20-2)9-15(13)23-18(21-3)16(12)17/h4-9,16-18H,1-3H3/t16-,17-,18-/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](OC)[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163025439

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 132451

> <CITATION>
-

$$$$