LMPK12060067
  LIPID_MAPS_STRUCTURE_DATABASE

 28 33  0  0  0  0  0  0  0  0999 V2000
    6.4708    8.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708    7.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1685    7.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8662    7.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8662    8.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1685    8.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5639    7.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2618    7.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2618    8.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5639    8.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9591    7.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9591    6.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7051    5.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511    6.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511    7.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7051    7.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5639    6.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7391    8.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9595    8.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8842    5.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7409    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0912    5.7869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1685    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708   10.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    8.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1735   10.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.4342    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  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
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  1  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060067

> <COMMON_NAME>
Dehydromillettone

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H16O6

> <MASS>
376.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6a,12a-Didehydromillettone 

> <INCHI_KEY>
JOEPOINDECTPQI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H16O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8H,9-10H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC3COC4=C(C=C5OCOC5=C4)C=3C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7040274

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$