LMPR0102070002
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0  0  0  0  0  0  0  0999 V2000
    8.0041    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0041    9.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000    8.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3081    8.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   10.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3081   10.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788    7.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029    9.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    9.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029    9.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6966   11.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    9.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521    7.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3925   11.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9972   11.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9231   10.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5562    7.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521    6.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0850   11.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8602    7.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5562    6.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9515    6.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8602    6.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1712    7.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5562    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1712    6.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0041    8.2897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0041   10.7049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 13  7  1  1  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  6  0  0  0
 20 23  1  0  0  0  0
 20 24  1  1  0  0  0
 21 25  1  1  0  0  0
 23 26  1  6  0  0  0
 24 27  1  0  0  0  0
  8 10  1  0  0  0  0
 21 23  1  0  0  0  0
  1 28  1  1  0  0  0
  2 29  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070002

> <COMMON_NAME>
Secologanin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H24O10

> <MASS>
388.14

> <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>
CSKKDSFETGLMSB-NRZPKYKESA-N

> <INCHI>
InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1

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

> <KEGG_ID>
C01852

> <HMDB_ID>
-

> <CHEBI_ID>
18002

> <ABBREVIATION>
-

> <CAYMAN_ID>
20647

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
161276

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$