LMPK12070138
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.6494    8.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6494    7.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2987    7.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9480    7.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9480    8.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2987    8.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5973    7.3435    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2466    7.7183    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2466    8.4681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5973    8.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    7.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    6.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5898    6.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2839    6.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2839    7.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5898    7.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5992    6.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9332    6.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9332    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8958    8.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  1 20  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070138

> <COMMON_NAME>
6-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-UHFFFAOYSA-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

> <SMILES>
C1(OC)=CC2OC(OC)C3C4C=CC(OC)=CC=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257492

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$