LMPK12080054
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.5442   10.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1674    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1674   10.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556   10.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904   10.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789   10.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019    8.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4697    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    8.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4697    9.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904    7.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1488    9.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4697    6.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5118    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556   11.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6191   12.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1488    7.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4122    8.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  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
 12 17  2  0  0  0  0
  1 18  1  0  0  0  0
 15 19  2  0  0  0  0
 13 20  1  0  0  0  0
  6 22  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080054

> <COMMON_NAME>
Amorphaquinone

> <SYSTEMATIC_NAME>
7-Hydroxy-8,3',4'-trimethoxyisoflavanquinone

> <FORMULA>
C18H18O7

> <MASS>
346.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PMGNYGMMSWPZPE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O7/c1-22-16-12(19)5-4-9-6-10(8-25-15(9)16)11-7-13(20)17(23-2)18(24-3)14(11)21/h4-5,7,10,19H,6,8H2,1-3H3

> <SMILES>
C1(O)C=CC2CC(C3=CC(=O)C(OC)=C(OC)C3=O)COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168219

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10405331

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$