LMPK13070015
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0     0  0            999 V2000
    6.9863   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8630   -2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8630   -3.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9863   -4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094   -3.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094   -2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9863   -1.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2326   -4.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7399   -4.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7399   -5.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5916   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5916   -1.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4672   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3431   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2189   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0948   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9706   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8465   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7223   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5982   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4742   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3500   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2259   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1018   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9777   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8535   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7294   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6053   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4811   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2434   -2.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  1  7  1  0     0  0
  5  8  1  0     0  0
  3  9  1  0     0  0
  9 10  1  0     0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 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 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 11  1  0  0  0  0
  6 30  1  0     0  0
M  END
> <LM_ID>
LMPK13070015

> <COMMON_NAME>
Brachyanone E

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H42O4

> <MASS>
418.31

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenylmethanes, acylphloroglucinols and benzophenones [PK1307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZMZJCQYVUGTQEO-SREVYHEPSA-N

> <INCHI>
InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-24(30-3)20-23(28)21(2)26(25)29/h6-7,20,28-29H,4-5,8-19H2,1-3H3/b7-6-

> <SMILES>
C1(O)=C(C)C(O)=CC(OC)=C1C(CCCCCCCCCCCC/C=C\CCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119393

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1489816

> <CITATION>
33887558

$$$$