LMPR0102070024
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.2101    7.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822    7.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6790    7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3778    6.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643    7.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0840    6.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9570    6.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2611    7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2465    6.0758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5055    9.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5055    9.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2121    8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7294    8.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2121   10.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7294   10.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9188    9.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2565    9.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9188    9.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2121   11.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5055   11.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4986    8.3249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4986   10.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0147    8.4944    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  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 24  1  1  0  0  0
 14 25  1  1  0  0  0
 15  1  1  1  0  0  0
 16 26  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070024

> <COMMON_NAME>
Iridotrial glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H24O8

> <MASS>
344.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

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

> <SYNONYMS>


> <INCHI_KEY>
MRIFZKMKTDPBHR-MDHPXLNESA-N

> <INCHI>
InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1

> <SMILES>
O([C@@H]1OC=C(C=O)[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>
C11653

> <HMDB_ID>
-

> <CHEBI_ID>
5969

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443335

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$