LMPK12060078
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    7.1129   10.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129    9.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312    9.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7495    9.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7495   10.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312   11.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5678    9.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3860    9.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3860   10.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5678   11.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2040    9.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2040    8.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790    7.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9536    8.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9536    9.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790    9.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5678    8.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1186   10.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2043   11.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312    8.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2043   11.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3860   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5678   11.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   12.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7719    7.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0458    8.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790    6.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1299    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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  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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3 20  1  0  0  0  0
 14 26  1  0  0  0  0
 13 28  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060078

> <COMMON_NAME>
Stemonacetal

> <SYSTEMATIC_NAME>
6-Ethoxy-11-hydroxy-2,3,9-trimethoxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one

> <FORMULA>
C21H20O8

> <MASS>
400.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KLMKGDIYOORAED-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O8/c1-5-27-21-20-17(11-8-14(25-3)15(26-4)9-13(11)29-21)19(23)18-12(22)6-10(24-2)7-16(18)28-20/h6-9,21-22H,5H2,1-4H3

> <SMILES>
C1(OC)C=C(O)C2C(=O)C3C4=C(OC(OCC)C=3OC=2C=1)C=C(OC)C(OC)=C4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257426

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 492015

> <CITATION>
-

$$$$