LMPK12090027
  LIPID_MAPS_STRUCTURE_DATABASE

 23 27  0  0  0  0  0  0  0  0999 V2000
    6.9171    8.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9171    8.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7184    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199    8.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199    8.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7184    9.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3213    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1226    8.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1226    8.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3213    9.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238    7.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238    6.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7807    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375    6.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375    7.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7807    8.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3298    6.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    9.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5786    6.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1602    7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5786    7.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  9 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090027

> <COMMON_NAME>
Flemichapparin C

> <SYSTEMATIC_NAME>
3-Methoxy-8,9-methylenedioxycoumestan

> <FORMULA>
C17H10O6

> <MASS>
310.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZIZYKBRERUNPAU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H10O6/c1-19-8-2-3-9-11(4-8)23-17(18)15-10-5-13-14(21-7-20-13)6-12(10)22-16(9)15/h2-6H,7H2,1H3

> <SMILES>
C1(OC)C=CC2C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196311

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11088179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2595076

> <CITATION>
-

$$$$