LMPK12080069
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.5555    9.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5555    8.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2015    8.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2015    9.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    9.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0244    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474    8.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474    9.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0244    9.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6703    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6703    6.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5502    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4301    6.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4301    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5502    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5502    9.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2531    6.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5343    7.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2531    8.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3101    7.7495    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
  1  2  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  2  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
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080069

> <COMMON_NAME>
Odoriflavene

> <SYSTEMATIC_NAME>
7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SZZKTMJLZNFNGL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3

> <SMILES>
C1(O)=CC2OCC(C3C(O)=C(OC)C(OC)=CC=3)=CC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11779541

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 499988

> <CITATION>
1446367

$$$$