LMPK12112527
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8659    7.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8659    6.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387    6.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2115    6.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2115    7.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387    8.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843    6.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570    6.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570    7.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843    8.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843    5.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2299    8.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    7.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6011    8.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6011    8.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    9.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2299    8.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570    9.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    7.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    9.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1380    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2299    6.4942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2773    7.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387    5.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4027    5.2184    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
 26 27  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
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 22  1  0  0  0  0
  8 24  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112527

> <COMMON_NAME>
5-O-Methyloxyayanin-A

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YXRNTXFGNDFPHS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O8/c1-23-9-5-14(25-3)16-15(6-9)27-18(19(26-4)17(16)22)10-7-12(21)13(24-2)8-11(10)20/h5-8,20-21H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12313850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$