LMFA04000095
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    8.9721    9.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9721   10.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0033   10.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4047    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0033    8.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962    8.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295    8.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601   10.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3129    7.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6995    8.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5737    8.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4436    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7204    9.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9809   10.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8702   10.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9809   11.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0850   10.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1887   10.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2925   10.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3962   10.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999   10.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6036   10.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7072   10.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8109   10.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  1  6  1  6     0  0
  6  7  1  0     0  0
  3  8  1  6     0  0
  4  8  1  6     0  0
  6  9  1  1     0  0
  7  9  1  6     0  0
  7 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 10 13  1  6     0  0
 15 14  1  0     0  0
 14 16  2  0     0  0
 14 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
  2 24  1  1     0  0
M  END
> <LM_ID>
LMFA04000095

> <COMMON_NAME>
Cymatherol C

> <SYSTEMATIC_NAME>
9-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1R)-1-Hydroxypropyl]cyclopropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]nona-5Z,8Z-dienoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PARCOZHRVNQMAR-BENGJLFASA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-17(21)16-11-14(16)15-12-18-20(24-18)13(15)9-7-5-3-4-6-8-10-19(22)23/h3-4,7,9,13-18,20-21H,2,5-6,8,10-12H2,1H3,(H,22,23)/b4-3-,9-7-/t13-,14-,15+,16+,17+,18-,20+/m0/s1

> <SMILES>
[C@@H]1([C@@H]2C[C@H]2[C@H](O)CC)C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101563155

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
309354

> <CITATION>
22071135

$$$$