LMPK12120036
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.4246    8.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3372    8.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3372    9.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4246   10.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5120    9.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5120    8.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3224   10.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1936    9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0273   10.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8721    9.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8721    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442    8.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6166    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6166    9.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442   10.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4246    6.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3448    6.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2406    6.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0273   11.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1747    8.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5745    8.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1665    9.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5745    9.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1281    9.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3820   10.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1017    9.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6368    8.2715    0.0000 C   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
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 22  2  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 25 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>
LMPK12120036

> <COMMON_NAME>
Bartericin B

> <SYSTEMATIC_NAME>
(E)-1-[[2-(1-Hydroxy-1-methylethyl)-6-hydroxy-2,3-dihydrobenzofuran]-5-yl]-3-(4-hydroxy-3-prenylphenyl)-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>
JZBLMRCGMUTLPS-JXMROGBWSA-N

> <INCHI>
InChI=1S/C25H28O5/c1-15(2)5-8-17-11-16(6-9-20(17)26)7-10-21(27)19-12-18-13-24(25(3,4)29)30-23(18)14-22(19)28/h5-7,9-12,14,24,26,28-29H,8,13H2,1-4H3/b10-7+

> <SMILES>
C1(C/C=C(/C)\C)C(O)=CC=C(/C=C/C(=O)C2C=C3CC(C(C)(C)O)OC3=CC=2O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12136210

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2604977

> <CITATION>
15771891

$$$$