LMPK12060048
  LIPID_MAPS_STRUCTURE_DATABASE

 29 34  0     0  0            999 V2000
    7.8864   10.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864    9.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338    8.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5812    9.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5812   10.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338   10.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4286    8.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2760    9.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2760   10.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4286   10.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1231    8.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1231    7.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9352    7.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9352    8.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4286    7.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0703   10.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1235   10.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2760    8.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2468    6.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2871    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7127    7.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338   11.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864   12.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   11.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   10.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5497   12.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.6980    0.0000 C   0  0  0  0  0  0  0  0  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
  8 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
  1  2  1  0  0  0  0
  6 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  1  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060048

> <COMMON_NAME>
Millettosin

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

> <FORMULA>
C22H18O7

> <MASS>
394.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12a-Hydroxymillettone

> <INCHI_KEY>
UMORYJJPSIXKBM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H18O7/c1-21(2)6-5-11-14(29-21)4-3-12-19(11)28-18-9-25-15-8-17-16(26-10-27-17)7-13(15)22(18,24)20(12)23/h3-8,18,24H,9-10H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC3COC4=C(C=C5OCOC5=C4)C3(O)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166650

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15560542

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62119

> <CITATION>
-

$$$$