LMPK12060058
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    8.8592    8.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7489    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7489   10.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8592   11.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694   10.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5973   11.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5973    8.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4457    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5973    8.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2942    8.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1426    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1426   10.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941   10.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4457   10.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941    8.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1426    7.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9911    8.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9911    8.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8397    7.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6881    8.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1426    6.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8592   12.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498   12.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0404   12.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0404   11.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5504   12.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.0808    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
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  5  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060058

> <COMMON_NAME>
7a-O-Methyldeguelol

> <SYSTEMATIC_NAME>
(6,7-Dimethoxy-3,4-dihydro-2H-1-benzopyran-4-yl)(2,2-dimethyl-5-methoxy-2H-1-benzopyran-6-yl)ketone

> <FORMULA>
C23H24O6

> <MASS>
396.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SYOGFYMIPOYTIT-UHFFFAOYSA-N

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

> <SMILES>
C1C=C2OC(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>
44257419

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 185716

> <CITATION>
-

$$$$