LMPK12090041
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.6781    7.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6781    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3562    6.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    7.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3562    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7123    6.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    7.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7123    7.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    6.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    5.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7933    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5183    5.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5183    6.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7933    6.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7195    5.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2426    5.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    7.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3562    5.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2426    6.6739    0.0000 O   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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
  9 20  2  0  0  0  0
  3 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090041

> <COMMON_NAME>
Demethylwedelolactone

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H8O7

> <MASS>
300.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Norwedelolactone

> <INCHI_KEY>
LUTYTNLPIUCKBJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H

> <SMILES>
C1(O)C=C(O)C2C3OC4=CC(O)=C(O)C=C4C=3C(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0128455

> <CHEBI_ID>
191036

> <ABBREVIATION>
-

> <CAYMAN_ID>
11703

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5489605

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$