LMPK13070002
  LIPID_MAPS_STRUCTURE_DATABASE

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.8497    7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8497    6.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3124    6.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3124    7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    7.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1183    6.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3871    6.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0436    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6556    7.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9243    7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9243    6.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6556    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1183    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8497    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    5.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8497    9.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3124    9.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1183    8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8497   10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6556    5.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.9556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032    7.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2334    8.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0779    8.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1087    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    7.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0436    7.9556    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  2  0  0  0  0
 12 25  2  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
  1 31  1  0  0  0  0
  5 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK13070002

> <COMMON_NAME>
Semimyrtucommulone

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H34O7

> <MASS>
446.23

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LQOPKPCZNCPZQE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H34O7/c1-10(2)13(15-21(30)24(6,7)23(32)25(8,9)22(15)31)14-18(27)12(5)19(28)16(20(14)29)17(26)11(3)4/h10-11,13,27-30H,1-9H3

> <SMILES>
C1(O)C(C(=O)C(C)C)=C(O)C(C)=C(O)C=1C(C(C)C)C1C(=O)C(C)(C)C(=O)C(C)(C)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10411304

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119949

> <CITATION>
11908974

$$$$