LMPK12140682
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.5703    8.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5703    7.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3560    7.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3560    8.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631    9.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2486    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1414    7.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1414    8.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2486    9.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0892    9.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9820    8.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8749    9.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8749   10.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9820   11.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0892   10.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2486    6.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631    6.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7477    7.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631   10.2356    0.0000 O   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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  9 11  1  6  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140682

> <COMMON_NAME>
Oresbiusin

> <SYSTEMATIC_NAME>
6,7,8-Trihydroxy-5-methoxyflavanone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PKAFYSRHNWFISU-JTQLQIEISA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-15-11-9(17)7-10(8-5-3-2-4-6-8)22-16(11)14(20)12(18)13(15)19/h2-6,10,18-20H,7H2,1H3/t10-/m0/s1

> <SMILES>
C1(O)C(O)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608124

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1504648

> <CITATION>
-

$$$$