LMPK12050281
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    8.1063    9.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1063    8.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531    7.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    8.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    9.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531    9.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6467    7.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4933    8.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4933    9.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6467    9.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3397    7.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3397    6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2452    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1505    6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1505    7.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2452    8.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6467    6.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531    6.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   10.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7775   10.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3797   10.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2889   11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7764   12.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3135   11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   12.7525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2452    9.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0549    6.3610    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  1  0  0  0  0
  8  9  2  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 16 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050281

> <COMMON_NAME>
Lunatone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O7

> <MASS>
370.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQLCEZCBCSBXKA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O7/c1-20(2,25)16-6-11-15(27-16)7-14(23)17-18(24)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3

> <SMILES>
C12OC(C(O)(C)C)CC=1C1OC=C(C3=C(O)C=C(O)C=C3)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257312

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3884

> <CITATION>
-

$$$$