LMPK12140420
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0            999 V2000
    8.0257   -7.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8800   -8.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7342   -7.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7342   -6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8800   -6.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0257   -6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885   -8.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4427   -7.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4427   -6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885   -6.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2960   -6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885   -9.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1724   -6.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0487   -6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0487   -5.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1724   -4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2960   -5.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1716   -6.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8800   -9.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9235   -6.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7984   -6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6714   -6.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9235   -4.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1724   -3.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8013   -5.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6965   -5.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6182   -4.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140420

> <COMMON_NAME>
Sigmoidin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASQDBJSRWIDYKK-MYJWUSKBSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-20(2)17(25)5-10-3-9(4-14(24)19(10)27-20)15-8-13(23)18-12(22)6-11(21)7-16(18)26-15/h3-4,6-7,15,17,21-22,24-25H,5,8H2,1-2H3/t15-,17?/m0/s1

> <SMILES>
C1C(O)=CC2O[C@H](C3C=C(O)C4OC(C)(C)C(O)CC=4C=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608000

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1977555

> <CITATION>
3819737

$$$$