LMPR0102070012
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.0930    7.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3876    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6761    7.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3980    6.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    7.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1137    6.0841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2549    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726    6.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737    9.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3703   10.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0856    8.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5978    8.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0856   10.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972   10.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7898    9.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1195    9.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1730    8.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710    8.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7898   10.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0856   11.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3558    8.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7967   11.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737   11.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3669    8.3887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3669   10.8524    0.0000 H   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
 16 21  1  1  0  0  0
 16 22  1  6  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 18 20  2  0  0  0  0
 19 23  1  0  0  0  0
 13 28  1  1  0  0  0
 14 29  1  1  0  0  0
 15  1  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070012

> <COMMON_NAME>
Monotropein

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H22O11

> <MASS>
390.12

> <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>
HPWWQPXTUDMRBI-NJPMDSMTSA-N

> <INCHI>
InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1

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

> <KEGG_ID>
C09788

> <HMDB_ID>
-

> <CHEBI_ID>
6988

> <ABBREVIATION>
-

> <CAYMAN_ID>
27595

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73466

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$