LMPK12080049
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.8835    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8835    8.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    7.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    8.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    9.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3524    7.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753    8.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3524    9.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9983    7.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9983    6.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8782    6.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7581    6.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7581    7.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8782    8.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753    6.1298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    6.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7633    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5810    6.1298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8622    6.8695    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
  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
  1 17  1  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080049

> <COMMON_NAME>
5-Methoxyvestitol

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

> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IIGJRKXUKWYUHK-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=C(OC)C2CC(C3C=CC(OC)=CC=3O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257518

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3090100

> <CITATION>
-

$$$$