LMFA02000340
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -6.9285    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0624   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1963    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7944   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642    1.2501    0.0000 O   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  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  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 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
  1 20  1  0     0  0
  9 21  1  6     0  0
  6 22  1  6     0  0
  5 23  1  6     0  0
M  END
> <LM_ID>
LMFA02000340

> <COMMON_NAME>
9R,12S,13S-trihydroxyoctadec-10E-enoic acid

> <SYSTEMATIC_NAME>
9R,12S,13S-trihydroxy-10E-octadecenoic acid

> <FORMULA>
C18H34O5

> <MASS>
330.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
9R,12S,13S-10E-TriHOME

> <INCHI_KEY>
MDIUMSLCYIJBQC-ACWVRRSXSA-N

> <INCHI>
InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17+/m1/s1

> <SMILES>
C(C)CCC[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16089912

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9606

> <CITATION>
30065010

$$$$