LMPK12080030
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.9300   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300   -6.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7421   -6.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5541   -6.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5541   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7421   -4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3661   -6.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783   -6.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3661   -4.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -6.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8586   -8.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7267   -7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7267   -6.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8586   -6.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783   -8.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180   -4.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5389   -8.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520   -5.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4049   -7.5741    0.0000 C   0  0  0  0  0  0  0  0  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
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0     0  0
 19 21  1  0     0  0
M  END
> <LM_ID>
LMPK12080030

> <COMMON_NAME>
Isosativan

> <SYSTEMATIC_NAME>
2'-Hydroxy-7,4'-dimethoxyisoflavan

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FWAWTPASGRNXTO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034024

> <CHEBI_ID>
174740

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
591624

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3898

> <CITATION>
-

$$$$