LMPK12080069
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2333    7.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9123    6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912    7.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9123    8.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2701    6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9491    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9491    7.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2701    8.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6280    6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6280    5.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0798    5.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0798    6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539    6.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539    7.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7588    5.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8158    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7588    6.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6308    6.3933    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

> <CITATION>
-

$$$$