LMPK12140096
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.6950    7.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6950    6.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3900    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0850    6.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0850    7.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3901    7.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    6.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    7.0064    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7800    7.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1701    7.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8784    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5869    7.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5869    8.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8785    8.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1701    8.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2819    8.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8785    9.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3901    8.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4720    8.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140096

> <COMMON_NAME>
8-Methoxybutin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QTTYVGOKKRMQEG-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607836

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$