LMFA13010034
  LIPID_MAPS_STRUCTURE_DATABASE

 37 37  0     0  0            999 V2000
   21.5258    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2930    8.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5258   10.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7530    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9798    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2067    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4335    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6604    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8873    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1142    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3410    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5679    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7947    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0215    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4752    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7022    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9290    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1558    9.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3827    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5008   10.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2739   10.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3410   10.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484   10.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4752    8.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1558   10.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6355    6.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877    4.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1849    5.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7471    7.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3160    7.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6539    7.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7341    6.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9074    5.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061    6.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    7.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0245    7.7477    0.0000 C   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  9 21  1  1  0  0  0
  9 22  1  6  0  0  0
 11 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  6  0  0  0
 19 26  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 32 25  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
M  END
> <LM_ID>
LMFA13010034

> <COMMON_NAME>
14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid

> <SYSTEMATIC_NAME>
14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid

> <FORMULA>
C28H42O9

> <MASS>
522.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Fatty acyl glycosides of mono- and disaccharides [FA1301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HTGFZKQPJXUSTN-HPLOYSALSA-N

> <INCHI>
InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22-,24-,25+,26-,27-,28+/m1/s1

> <SMILES>
C(/C=C/C=C/C[C@](C)(O)/C=C(\C)/C=C/C=C(\C)/[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C/C=C(\C)/C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101191879

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
300236

> <CITATION>
15691016

$$$$