LMPK12080071
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.9256   -5.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9256   -6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7697   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6140   -6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6140   -5.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7697   -5.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4581   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3022   -6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3022   -5.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4581   -5.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1465   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1465   -8.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0491   -8.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9515   -8.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9515   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0491   -6.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0815   -5.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7957   -8.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0815   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2371   -6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2371   -5.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5939   -8.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5686   -8.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0491   -5.7378    0.0000 O   0  0  0  0  0  0  0  0  0  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  1     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
 17  1  1  0     0  0
 14 18  1  0     0  0
  2 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
 16 24  1  0     0  0
M  END
> <LM_ID>
LMPK12080071

> <COMMON_NAME>
Millinol

> <SYSTEMATIC_NAME>
(3R)-7,2',4'-Trihydroxy-6-(1,1-dimethylallyl)isoflavan

> <FORMULA>
C20H22O4

> <MASS>
326.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WZKRLNSIPVUZHV-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C20H22O4/c1-4-20(2,3)16-8-12-7-13(11-24-19(12)10-18(16)23)15-6-5-14(21)9-17(15)22/h4-6,8-10,13,21-23H,1,7,11H2,2-3H3/t13-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@H](C3C(O)=CC(O)=CC=3)CC=2C=C1C(C)(C)C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237674

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
53625

> <CITATION>
-

$$$$