LMPK12060079
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    7.5862    9.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    8.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2932    8.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2932    9.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398    9.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1467    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    8.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    9.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1467    9.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8531    7.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8531    6.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7657    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6782    6.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6782    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7657    8.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8531    9.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1467    6.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7757    9.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398    6.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8531   10.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7068   11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5603   10.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7068   12.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4137   11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
 20  1  1  0  0  0  0
  3 21  1  0  0  0  0
  2 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060079

> <COMMON_NAME>
Repenone

> <SYSTEMATIC_NAME>
6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone

> <FORMULA>
C18H12O9

> <MASS>
372.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JHFAKPWBUSBCCY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O9/c1-24-18(23)27-17-16-11(7-4-2-3-5-9(7)26-17)14(21)12-10(25-16)6-8(19)13(20)15(12)22/h2-6,17,19-20,22H,1H3

> <SMILES>
C1(O)=CC2OC3C(OC(=O)OC)OC4C(=CC=CC=4)C=3C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257427

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 427792

> <CITATION>
-

$$$$