LMPK12120031
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.2626    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1616    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1616    8.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2626    9.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636    8.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1342    8.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1342    7.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9934    7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8527    7.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8527    8.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9934    9.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3482    9.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7757    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1381    7.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9326    7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1381    6.2334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7121    7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    7.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    8.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7121    9.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9954    9.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2819    8.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9672    9.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9800    7.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3141    7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4301    6.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  2  0  0  0  0
 18  8  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 11  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120031

> <COMMON_NAME>
Bartericin C

> <SYSTEMATIC_NAME>
(E)-1-[[2-(1-Hydroxy-1-methylethyl)-6-hydroxy-2,3-dihydrobenzofuran]-5-yl]-3-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran)-5-yl]-2-propene-1-one

> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YSOHJTIJBIMQNH-FNORWQNLSA-N

> <INCHI>
InChI=1S/C25H28O5/c1-24(2)10-9-16-11-15(6-8-21(16)30-24)5-7-19(26)18-12-17-13-23(25(3,4)28)29-22(17)14-20(18)27/h5-8,11-12,14,23,27-28H,9-10,13H2,1-4H3/b7-5+

> <SMILES>
C1C2CC(C(O)(C)C)OC=2C=C(O)C=1C(=O)/C=C/C1C=C2CCC(C)(C)OC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185365

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12136211

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2604977

> <CITATION>
15771891

$$$$