LMFA01060239
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   -0.4349   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4349   -0.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    0.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1880   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0647   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9414   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8181   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6949   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5716   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4483   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3250   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2017   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0784   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9551   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8319   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7086   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5853   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4620   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3387   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2154   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0921   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9689   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8456   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7223   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5990   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4757   -0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3524   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5990   -1.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4757    0.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1880    0.7488    0.0000 O   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  2  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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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
 26 29  1  0     0  0
 27 30  2  0     0  0
  5 31  1  0     0  0
M  END
> <LM_ID>
LMFA01060239

> <COMMON_NAME>
7-cis-Laetiporic acid A

> <SYSTEMATIC_NAME>
3-Hydroxy-24-methyl-25-oxo-5E,7Z,9E,11E,13E,15E,17E,19Z,21E,23E-hexacosadecaenoic acid

> <FORMULA>
C27H32O4

> <MASS>
420.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KTAMMGIWIFDREV-SLHRBXMBSA-N

> <INCHI>
InChI=1S/C27H32O4/c1-24(25(2)28)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26(29)23-27(30)31/h3-21,26,29H,22-23H2,1-2H3,(H,30,31)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13-,16-14-,19-17+,20-18+,24-21+

> <SMILES>
C(CC(O)C/C=C/C=C\C=C\C=C\C=C\C=C\C=C\C=C/C=C/C=C(\C)/C(=O)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 27:11;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102356186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]; Branched fatty acids [FA0102]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
5630

> <CITATION>
15797608

$$$$