LMPK12060072
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
    7.8191   10.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8191    9.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483    9.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    9.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777   10.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483   11.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069    9.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1362    9.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1362   10.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069   11.0837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9652    9.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9652    8.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8517    7.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7384    8.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7384    9.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8517    9.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069    8.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8920   10.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654   11.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492   12.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4970   12.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075   11.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182   12.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4970   13.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483    8.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8517    6.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9168    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654   12.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0305   12.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5677    7.6662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8588    8.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  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  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
  3 26  1  0  0  0  0
 13 27  1  0  0  0  0
 19 29  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060072

> <COMMON_NAME>
Villinol

> <SYSTEMATIC_NAME>
(2R,12S)-1,2-Dihydro-5-hydroxy-8,9,12-trimethoxy-2-(1-methylvinyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(12H)-one

> <FORMULA>
C24H22O8

> <MASS>
438.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GMVHFTVCPPCMGW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H22O8/c1-10(2)14-7-12-15(30-14)8-13(25)20-21(26)19-11-6-17(27-3)18(28-4)9-16(11)31-24(29-5)23(19)32-22(12)20/h6,8-9,14,24-25H,1,7H2,2-5H3

> <SMILES>
C12OC(C(C)=C)CC=1C1OC3C(OC)OC4=C(C=C(OC)C(OC)=C4)C=3C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169142

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14427377

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62125

> <CITATION>
-

$$$$