LMPK12060075
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    7.8608   10.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    9.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962    9.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5317    9.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5317   10.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962   11.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671    9.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    9.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025   10.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671   11.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376    9.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376    8.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9308    7.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241    8.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241    9.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9308    9.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376   11.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671    8.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9404   10.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962   12.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608   12.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0254   12.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0254   11.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5429   12.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962    8.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376   12.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9308    6.6802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0038    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6596    7.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9601    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  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
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 17 27  1  0  0  0  0
 14 30  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060075

> <COMMON_NAME>
6-Hydroxy-6a,12a-dehydro-alpha-toxicarol

> <SYSTEMATIC_NAME>
6a,12a-Dehydro-6,11-dihydroxy-2,3-dimethoxy-6",6"-dimethylpyrano[2",3":9,8]rotenone

> <FORMULA>
C23H20O8

> <MASS>
424.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NVIZHSSHHRHDLE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O8/c1-23(2)6-5-10-14(31-23)8-12(24)18-19(25)17-11-7-15(27-3)16(28-4)9-13(11)29-22(26)21(17)30-20(10)18/h5-9,22,24,26H,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC3C(O)OC4C(=CC(OC)=C(OC)C=4)C=3C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257423

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$