LMPK12080048
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.9014    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014    8.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    8.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    9.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4237    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    8.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4237    9.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1050    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1050    6.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8848    6.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6643    6.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6643    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8848    8.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5049    6.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    6.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    6.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9422    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.3458    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
  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  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
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080048

> <COMMON_NAME>
Lotisoflavan

> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-5,7-dimethoxyisoflavan

> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITRZCICEVGLQFO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3

> <SMILES>
C1(OC)=CC2OCC(C3=CC=C(O)C=C3O)CC=2C(OC)=C1

> <KEGG_ID>
C10495

> <HMDB_ID>
-

> <CHEBI_ID>
6543

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442805

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47247

> <CITATION>
-

$$$$