LMPK12060069
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0     0  0            999 V2000
    7.8572   10.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    9.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913    9.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5251    9.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5251   10.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590    9.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1928    9.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1928   10.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590   11.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0263    9.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0264    8.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9179    7.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8096    8.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8096    9.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9179    9.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590    8.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9584   10.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913   12.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572   12.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0234   12.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0234   11.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   12.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913    8.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9179    6.6790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9890    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6434    7.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9414    8.4246    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
  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060069

> <COMMON_NAME>
Dehydrotoxicarol

> <SYSTEMATIC_NAME>
7,13-Dihydro-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7-one

> <FORMULA>
C23H20O7

> <MASS>
408.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7a,13a-Didehydrotoxicarol

> <INCHI_KEY>
HDDUSYQWBVKRGV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C=3C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491616

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$