LMPK12060039
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    7.7760   10.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7760    9.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5850    9.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940    9.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940   10.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5850   10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029    9.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    9.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119   10.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029   10.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8206    9.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8206    8.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6857    7.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5507    8.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5507    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6857    9.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029    8.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   10.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8209   10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3907   11.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4617   11.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0817   11.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9947   12.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4617   13.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6857    6.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7246    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    8.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7527    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3597    7.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6189    8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  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  1  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
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
  8 28  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060039

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12a-Methoxyrotenone

> <FORMULA>
C24H24O7

> <MASS>
424.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KHDBBFYQRTYKSB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H24O7/c1-12(2)17-8-14-16(30-17)7-6-13-22(14)31-21-11-29-18-10-20(27-4)19(26-3)9-15(18)24(21,28-5)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3

> <SMILES>
C12OC(C(C)=C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3(OC)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257411

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$