LMFA01170151
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0361   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9047   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7732   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6417   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5103   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3788   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2473   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1158   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9844   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0361   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2473   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3788    0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8487   -0.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9878   -1.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3646    2.7525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6240    3.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029    2.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6451    0.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1496    1.3685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5112    1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5041    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6310    2.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7705    2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7776    1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9171    0.7268    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  0     0  0
 12 16  1  6     0  0
 11 17  1  1     0  0
 14 18  1  0     0  0
 14 19  2  0     0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 17  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMFA01170151

> <COMMON_NAME>
Cissoic acid

> <SYSTEMATIC_NAME>
9S-(beta-D-glucopyranosyloxy)-4,10R-dimethyl-2E,4E,6E-dodecene-1,12-dioic acid

> <FORMULA>
C20H30O10

> <MASS>
430.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZTPPKAUYDONSLR-AYWFJNOKSA-N

> <INCHI>
InChI=1S/C20H30O10/c1-11(7-8-15(22)23)5-3-4-6-13(12(2)9-16(24)25)29-20-19(28)18(27)17(26)14(10-21)30-20/h3-5,7-8,12-14,17-21,26-28H,6,9-10H2,1-2H3,(H,22,23)(H,24,25)/b4-3+,8-7+,11-5+/t12-,13+,14-,17-,18+,19-,20-/m1/s1

> <SMILES>
C(/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@H](C)CC(=O)O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162666942

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
416102

> <CITATION>
33176095

$$$$