LMPR0102070061
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    9.9874   11.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874   12.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8223   10.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0547   11.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8223   12.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0592   12.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6707   11.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4908   11.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6707   12.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8179   13.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6571   14.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9785   14.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874   10.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874   13.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6767    9.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005    9.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8187    9.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    8.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7939    6.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956    6.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3101    9.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4627    7.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3140    9.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8086    8.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2992    7.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3001    7.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8057    8.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    8.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5209   13.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0888   10.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5249   12.1736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  1 13  1  1     0  0
  2 14  1  1     0  0
  4 15  1  6     0  0
  4  8  1  0     0  0
 15 16  1  0     0  0
  3 17  1  1     0  0
 22 28  1  0     0  0
 27 21  1  0     0  0
 21 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  1     0  0
 23 17  1  1     0  0
 24 18  1  6     0  0
 25 19  1  1     0  0
 26 20  1  6     0  0
 11 29  1  0     0  0
  4 30  1  1     0  0
  8 31  1  6     0  0
M  END
> <LM_ID>
LMPR0102070061

> <COMMON_NAME>
Genameside A

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H26O12

> <MASS>
422.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

> <SYNONYMS>


> <INCHI_KEY>
DPORNVNPTRLCKZ-RNLJPYGHSA-N

> <INCHI>
InChI=1S/C17H26O12/c1-26-14(24)7-4-27-15(10-6(7)2-9(20)17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,6,8-13,15-16,18-23,25H,2-3,5H2,1H3/t6-,8-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1

> <SMILES>
[C@@]12([H])[C@@](O)([C@H](O)C[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11690334

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
58486

> <CITATION>
16204999

$$$$