LMPK12130055
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7467    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7467    8.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5899    7.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5899    9.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329    8.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2757    9.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1210    9.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1198    8.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8082    7.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9639    9.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9639   10.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8078   11.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075   12.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9641   12.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1215   12.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1217   11.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9038    9.7678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6505   12.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5899    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7467    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9641   13.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9038    7.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  6  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130055

> <COMMON_NAME>
Hamiltrone

> <SYSTEMATIC_NAME>
3',4'-Dihydroxy-4,5,6-trimethoxyaurone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KDAHPBGYDUMHRL-QPEQYQDCSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-14-8-12-15(18(24-3)17(14)23-2)16(21)13(25-12)7-9-4-5-10(19)11(20)6-9/h4-8,19-20H,1-3H3/b13-7-

> <SMILES>
C1(OC)C=C2O/C(=C\C3C=CC(O)=C(O)C=3)/C(=O)C2=C(OC)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
642382

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 174975

> <CITATION>
9584399

$$$$