LMPK12080066
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2334    8.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2334    8.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9123    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913    8.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913    8.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9122    9.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2702    7.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9491    8.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9491    8.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2701    9.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6280    7.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6279    6.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539    6.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0798    6.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0798    7.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539    8.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539    5.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    6.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    5.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7587    6.4679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7587    5.2475    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  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 21  1  0  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

> <CITATION>
-

$$$$