LMPK12060046
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    6.8968    9.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8968    8.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693    8.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693    9.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    9.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4055    7.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2418    8.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2418    9.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4055    9.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    7.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9717    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8659    6.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8659    7.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9717    8.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    9.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4055    6.6434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9814    9.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2418    7.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7021    8.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.6434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
  1  2  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  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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
  3 22  1  0  0  0  0
  2 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060046

> <COMMON_NAME>
Boeravinone C

> <SYSTEMATIC_NAME>
4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZVSXALWTWGTZSP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-8-11(23-2)6-12-14(15(8)20)17(21)18(22)9-4-3-5-10(19)16(9)24-7-13(18)25-12/h3-6,13,19-20,22H,7H2,1-2H3

> <SMILES>
C1(OC)=CC2OC3COC4C(=CC=CC=4O)C3(O)C(=O)C=2C(O)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13940641

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 930814

> <CITATION>
-

$$$$