LMPK12080028
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.9000   10.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000    9.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392    8.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5786    9.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5786   10.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   10.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    8.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2573    9.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2573   10.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179   10.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0967    8.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0967    7.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9940    7.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8915    7.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8915    8.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9940    9.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7309    7.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2573    7.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2573    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  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
  1  2  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080028

> <COMMON_NAME>
Isovestitol

> <SYSTEMATIC_NAME>
7,4'-Dihydroxy-2'-methoxyisoflavan

> <FORMULA>
C16H16O4

> <MASS>
272.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FFDNYMAHNWBKCH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3

> <SMILES>
C1(O)C=CC2CC(C3C=CC(O)=CC=3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030526

> <CHEBI_ID>
174582

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
591830

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3138442

> <CITATION>
-

$$$$