LMPK12110066
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.5915    8.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5915    7.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4508    7.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    7.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    8.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4508    9.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1692    7.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285    7.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285    8.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1692    9.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1692    6.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874    9.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7630    8.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6388    9.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6388   10.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7630   10.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874   10.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7630   11.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4980   10.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6016   10.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321    7.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321    6.3606    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
  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
  1 18  1  0  0  0  0
 16 19  1  0  0  0  0
  2 22  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110066

> <COMMON_NAME>
Abrectorin

> <SYSTEMATIC_NAME>
7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VEBYYFUMPFKKJB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)19)15-7-11(18)10-6-17(22-2)13(20)8-16(10)23-15/h3-8,19-20H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257585

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3816

> <CITATION>
-

$$$$