LMPK12140418
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0            999 V2000
    8.0157   -6.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0157   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8774   -8.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7392   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7392   -6.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8774   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6010   -8.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4627   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4627   -6.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6010   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241   -6.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2024   -6.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0806   -6.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0806   -5.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2024   -4.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241   -5.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6010   -9.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8774   -9.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -6.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2024   -3.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9586   -4.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9586   -6.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8350   -6.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8350   -5.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7139   -4.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1066   -4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  2  0     0  0
  3 18  1  0     0  0
  1 19  1  0     0  0
 15 20  1  0     0  0
 14 21  1  0     0  0
 13 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 21  1  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
M  END
> <LM_ID>
LMPK12140418

> <COMMON_NAME>
Sigmoidin C

> <SYSTEMATIC_NAME>
(2S)-5,7,8'-Trihydroxy-2',2'-dimethyl-2,6'-bi[2H-1-benzopyran]-4(3H)-one

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RFBNSYVWJNUVHE-INIZCTEOSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-8,16,21-22,24H,9H2,1-2H3/t16-/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=C(O)C4OC(C)(C)C=CC=4C=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44424648

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1977555

> <CITATION>
-

$$$$