LMFA07040181
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
   -4.9031   -2.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0685   -1.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1650   -3.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9197   -2.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -1.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0867   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697   -0.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527   -0.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7356   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6186   -0.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5016   -0.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3846   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3846   -1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3357   -2.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9235   -1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3357   -0.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5756   -2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6801   -3.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6434   -2.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3846    0.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3302   -0.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1801   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1801   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0461   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9121   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6801   -3.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6801   -5.0731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 12  1  0     0  0
 13 17  1  0     0  0
 17 18  1  0     0  0
 17  2  1  1     0  0
 13 19  1  1     0  0
 12 20  1  6     0  0
 16 21  1  6     0  0
 15 21  1  6     0  0
 18 22  1  0     0  0
 22 23  1  0     0  0
 18 23  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 18 26  1  1     0  0
 22 27  1  1     0  0
M  END
> <LM_ID>
LMFA07040181

> <COMMON_NAME>
Hybridalactone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YJRNYEWLGNTSHT-SRHJZBNWSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-13-11-15(13)19-16-12-17-20(22-17)14(16)9-7-5-3-4-6-8-10-18(21)23-19/h3-4,7,9,13-17,19-20H,2,5-6,8,10-12H2,1H3/b4-3-,9-7-/t13-,14-,15+,16+,17-,19-,20+/m0/s1

> <SMILES>
C1(CCCC=CCC=C[C@]2([H])[C@H]3O[C@H]3C[C@@]2([H])[C@@H](O1)[C@]1([H])C[C@]1([H])CC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23247417

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
99900

> <CITATION>
26805855

$$$$