LMPK12090033
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0  0  0  0  0  0  0  0999 V2000
    8.9497   -6.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9497   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7568   -7.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5642   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5642   -6.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7568   -5.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3715   -7.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1786   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1786   -6.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3715   -5.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9857   -7.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9857   -8.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8487   -8.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7116   -8.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7116   -7.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8487   -6.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3798   -8.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9859   -5.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6595   -8.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2453   -7.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6595   -7.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -7.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -5.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -6.0628    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
  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
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0     0  0
M  END
> <LM_ID>
LMPK12090033

> <COMMON_NAME>
2-Hydroxyflemichapparin C

> <SYSTEMATIC_NAME>
2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan

> <FORMULA>
C17H10O7

> <MASS>
326.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QKIMKWTXCITOEA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H10O7/c1-20-12-4-11-8(2-9(12)18)16-15(17(19)24-11)7-3-13-14(22-6-21-13)5-10(7)23-16/h2-5,18H,6H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196334

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257534

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450083

> <CITATION>
-

$$$$