LMPK12060059
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    8.8459    8.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7413    9.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7413   10.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8459   11.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9507   10.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9507    9.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5771   12.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5395   12.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1671   11.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0465   12.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5395   13.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953   11.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953    9.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4491    9.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953    8.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3029    9.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567    9.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567   10.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3029   10.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4491   10.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3029    8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567    7.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0105    8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0105    9.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8643    7.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7182    8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567    6.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3029    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  5  1  0  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  3 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 18  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060059

> <COMMON_NAME>
Rotenol

> <SYSTEMATIC_NAME>
[[(R)-3,4-Dihydro-6,7-dimethoxy-2H-1-benzopyran]4-yl][[(R)-2,3-dihydro-4-hydroxy-2-(1-methylethenyl)benzofuran]-5-yl]methanone

> <FORMULA>
C23H24O6

> <MASS>
396.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PNGWMVLNWUQYJN-PQJIZZRHSA-N

> <INCHI>
InChI=1S/C23H24O6/c1-12(2)18-10-16-17(29-18)6-5-14(23(16)25)22(24)13-7-8-28-19-11-21(27-4)20(26-3)9-15(13)19/h5-6,9,11,13,18,25H,1,7-8,10H2,2-4H3/t13?,18-/m1/s1

> <SMILES>
C1C=C2O[C@@H](C(=C)C)CC2=C(O)C=1C(=O)C1CCOC2C=C(OC)C(OC)=CC1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257420

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 185716

> <CITATION>
-

$$$$