LMPK12110168
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.1331    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1331    8.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    7.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8098    8.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8098    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9714    9.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482    7.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4865    8.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4865    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482    9.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482    6.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3249    9.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792    9.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    9.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1795   11.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3249   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9714   10.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1330   11.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1330   12.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9714   12.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1330   13.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    6.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0481    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.3936    0.0000 C   0  0  0  0  0  0  0  0  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
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  1 26  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110168

> <COMMON_NAME>
trans-Tephrostachin

> <SYSTEMATIC_NAME>
8-[(E)-3-Hydroxy-3-methyl-1-butenyl]-5,7-dimethoxyflavone

> <FORMULA>
C22H22O5

> <MASS>
366.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CYPXFTCVCNFZNY-ZHACJKMWSA-N

> <INCHI>
InChI=1S/C22H22O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-13,24H,1-4H3/b11-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21721890

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1628388

> <CITATION>
-

$$$$