LMPK12112803
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.8137    8.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8137    7.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    7.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5349    7.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5349    8.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    9.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    7.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2559    7.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2559    8.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    9.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1164    9.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9935    8.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8707    9.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8707   10.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9935   10.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1164   10.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1164    7.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    9.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    7.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5695    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112803

> <COMMON_NAME>
Alnusin

> <SYSTEMATIC_NAME>
3,5,7-Trihydroxy-6-methoxyflavone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Methoxygalangin

> <INCHI_KEY>
HYBBOIHJQNYTGH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-16-9(17)7-10-11(13(16)19)12(18)14(20)15(22-10)8-5-3-2-4-6-8/h2-7,17,19-20H,1H3

> <SMILES>
C1(O)=CC2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305751

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 253221

> <CITATION>
-

$$$$