LMPK12080066
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.0094   -5.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0094   -6.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8323   -6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6553   -6.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6553   -5.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8322   -5.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782   -6.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3012   -6.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3012   -5.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4781   -5.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1241   -6.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1239   -7.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040   -8.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8838   -7.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8838   -6.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040   -6.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864   -5.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040   -9.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3010   -8.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7067   -8.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350   -7.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5728   -7.9370    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 19 21  1  0     0  0
 20 22  1  0     0  0
M  END
> <LM_ID>
LMPK12080066

> <COMMON_NAME>
2'-O-Methylsepiol

> <SYSTEMATIC_NAME>
7,3'-Dihydroxy-2',4'-dimethoxyisoflavene

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PYXRJDSEUPSUBK-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=CC2C=C(C3=CC=C(OC)C(O)=C3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257526

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167663

> <CITATION>
-

$$$$