LMPK12060020
  LIPID_MAPS_STRUCTURE_DATABASE

 30 35  0     0  0            999 V2000
    7.8976   10.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976    9.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7539    8.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105    9.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105   10.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7539   10.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4671    8.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3238    9.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3238   10.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4671   10.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801    8.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0367    9.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0367   10.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801   10.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801    7.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0367    7.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8933    7.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8933    8.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2423    6.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2261    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6284    6.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3238   11.4265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3238    7.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4671    7.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7539   11.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976   12.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410   11.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410   10.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1305   11.0567    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 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  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  9 22  1  1  0  0  0
  8 23  1  1  0  0  0
  7 24  2  0  0  0  0
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  1  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060020

> <COMMON_NAME>
Millettone

> <SYSTEMATIC_NAME>
[5aS,12bS,(-)]-5a,12b-Dihydro-2,2-dimethyl-2H-[1,3]dioxolo[4,5-g]pyrano[2,3-c:6,5-f']bis[1]benzopyran-13(6H)-one

> <FORMULA>
C22H18O6

> <MASS>
378.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TXNSUHKZCOMFPN-MOPGFXCFSA-N

> <INCHI>
InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1

> <SMILES>
C12OC(C)(C)C=CC1=C1O[C@]3([H])COC4C=C5OCOC5=CC=4[C@]3([H])C(=O)C1=CC=2

> <KEGG_ID>
C10506

> <HMDB_ID>
-

> <CHEBI_ID>
6937

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62119

> <CITATION>
-

$$$$