LMPK12080011
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0            999 V2000
    8.4106   -9.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4106  -10.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467  -11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0824  -10.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0824   -9.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2466   -9.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9184  -11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543  -10.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543   -9.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9184   -9.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5904  -11.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5904  -12.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4841  -12.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3778  -12.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3778  -11.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4841  -10.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4841   -9.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5747   -9.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2466   -8.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4106   -7.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4106   -6.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5747   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2466   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2138  -12.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5152  -12.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  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  6     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
 16 17  1  0     0  0
  1 18  1  0     0  0
  6 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 14 24  1  0     0  0
M  END
> <LM_ID>
LMPK12080011

> <COMMON_NAME>
4'-O-Methylpreglabridin

> <SYSTEMATIC_NAME>
(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan

> <FORMULA>
C21H24O4

> <MASS>
340.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CFIGHBKJMKQTBW-OAHLLOKOSA-N

> <INCHI>
InChI=1S/C21H24O4/c1-13(2)4-7-18-19(22)9-5-14-10-15(12-25-21(14)18)17-8-6-16(24-3)11-20(17)23/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3/t15-/m1/s1

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC[C@H](C3C(O)=CC(OC)=CC=3)CC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179321

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
181385

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48133

> <CITATION>
-

$$$$