LMPK12060016
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0     0  0            999 V2000
    9.0155   10.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    9.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8617    9.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7079    9.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7079   10.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8617   11.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540    9.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4001    9.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4001   10.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540   11.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2460    9.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2461    8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1508    7.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0555    8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0555    9.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1508    9.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540    8.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9017    7.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1508   10.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2465   11.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587   12.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6868   12.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2896   11.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1983   13.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6868   13.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212   13.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1508    6.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2376    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  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  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
  6 21  1  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
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060016

> <COMMON_NAME>
3-O-Demethylamorphigenin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O7

> <MASS>
396.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ABUBWVZSQKAKIK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O7/c1-10(8-23)16-6-13-15(28-16)4-3-11-21(25)20-12-5-18(26-2)14(24)7-17(12)27-9-19(20)29-22(11)13/h3-5,7,16,19-20,23-24H,1,6,8-9H2,2H3

> <SMILES>
C12OC(C(CO)=C)CC=1C1OC3COC4=C(C=C(OC)C(O)=C4)C3C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166649

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257401

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$