LMPK13070026
  LIPID_MAPS_STRUCTURE_DATABASE

 31 31  0     0  0            999 V2000
  -10.3473   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4651   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5828   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7005   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8181   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9359   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0536   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2890   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6422   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0047   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7693   -4.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1835   -2.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1474   -3.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0129   -4.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8766   -3.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7405   -4.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7405   -5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8766   -5.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0130   -5.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1490   -5.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6044   -3.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8766   -2.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6044   -5.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2009   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2034   -6.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  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  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 20  1  0     0  0
 25 26  2  0     0  0
 22 27  1  0     0  0
 21 28  1  0     0  0
 23 29  1  0     0  0
 24 30  1  0     0  0
 24 31  1  1     0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
M  END
> <LM_ID>
LMPK13070026

> <COMMON_NAME>
(-)-Cuminone D

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H38O5

> <MASS>
430.27

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YJSUQPIYADONQI-ZJNXWBICSA-N

> <INCHI>
InChI=1S/C26H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27)22-23(28)20(2)24(29)26(3,31)25(22)30/h5-6,8-9,11-12,28-29,31H,4,7,10,13-19H2,1-3H3/b6-5+,9-8-,12-11-/t26-/m0/s1

> <SMILES>
C(C(=O)C1C(=O)[C@](O)(C)C(O)=C(C)C=1O)CCCCCC/C=C\C/C=C\C/C=C/CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118666

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260142

> <CITATION>
34147547

$$$$