LMPR0102070001
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.0811   11.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0811   12.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238   11.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1396   11.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238   12.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1442   12.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9103    9.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7800   11.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5704   12.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8349   10.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7800   12.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193   13.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0093    8.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5933   12.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7664   14.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0721   14.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1576    9.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0093    7.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6092   13.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3149    8.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1576    7.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8565    7.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3149    7.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4767    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1576    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4767    7.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0811   10.5519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0811   13.4879    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  1  0  0  0  0
  4 10  1  1  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
 13  7  1  1  0  0  0
  9 14  1  1  0  0  0
 12 15  1  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
 15 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
  6  9  1  0  0  0  0
  8 11  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>
LMPR0102070001

> <COMMON_NAME>
Loganin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H26O10

> <MASS>
390.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

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

> <SYNONYMS>
7-hydroxy-6-desoxyverbenalin

> <INCHI_KEY>
AMBQHHVBBHTQBF-UOUCRYGSSA-N

> <INCHI>
InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1

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

> <KEGG_ID>
C01433

> <HMDB_ID>
-

> <CHEBI_ID>
15771

> <ABBREVIATION>
-

> <CAYMAN_ID>
19997

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87691

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28545

> <CITATION>
-

$$$$