LMPK12110168
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8848    7.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8848    6.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5765    6.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2681    6.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2681    7.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    8.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598    6.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514    6.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514    7.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598    8.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598    5.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3431    8.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0479    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530    8.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530    8.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0481    9.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3431    8.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    8.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847    9.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847   10.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   10.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764   10.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847   10.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5765    5.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.3997    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>


> <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

> <CITATION>
-

$$$$