LMPR0102070020
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.2139    7.9205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3851    7.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6812    7.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    6.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9657    7.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6665    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0877    6.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9584    6.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    7.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6622    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    6.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5086    9.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5086    9.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2159    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7317    8.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2159   10.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7317   10.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9234    9.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    9.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9234    9.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2159   11.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9199   11.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5086   11.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6273   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5017    8.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5017   10.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162    8.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  1  0  0  0
  8 11  1  6  0  0  0
  6  8  1  0  0  0  0
  9 12  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 26  1  1  0  0  0
 14 27  1  1  0  0  0
 15  1  1  1  0  0  0
 16 28  1  6  0  0  0
M  END
> <LM_ID>
LMPR0102070020

> <COMMON_NAME>
8-Epideoxyloganin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H26O9

> <MASS>
374.16

> <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>
KMHXLGLJTQHEIM-OBFZKGLGSA-N

> <INCHI>
InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8-,10-,11-,12-,13+,14-,16+,17+/m1/s1

> <SMILES>
O([C@@H]1OC=C(C(=O)OC)[C@@]2([H])CC[C@@H](C)[C@]21[H])[C@H]1[C@H](O)[C@H]([C@H](O)[C@H](O1)CO)O

> <KEGG_ID>
C11648

> <HMDB_ID>
-

> <CHEBI_ID>
2315

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443331

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$