LMPR0102070026
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0  0  0  0  0  0  0  0999 V2000
    5.7259    8.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    8.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7259    9.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0106    8.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2954    8.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5880    8.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8733    8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    7.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0122    7.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8688    7.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1632    8.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5773    6.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1540    7.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7359    6.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7371    5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4552    7.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5797    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8624    5.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2904    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    6.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7209    7.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4277    5.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    9.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2996   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2996   10.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5261    9.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035   11.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5261   11.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116   10.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0565   10.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116   10.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035   12.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2927    9.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2927   11.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8184    9.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 10  1  0  0  0  0
 19 14  1  0  0  0  0
 19 20  2  0  0  0  0
  8 11  1  6  0  0  0
 19 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  1  0  0  0
 22 15  1  0  0  0  0
 22 23  2  0  0  0  0
 10 14  1  1  0  0  0
 22 24  1  0  0  0  0
 12 15  1  6  0  0  0
 25  5  1  1  0  0  0
 10 12  1  0  0  0  0
 13  2  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  2  0  0  0  0
  1  3  2  0  0  0  0
 26 27  1  0  0  0  0
 26 25  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 25 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 26 35  1  1  0  0  0
 27 36  1  1  0  0  0
 16 18  1  0  0  0  0
 28 37  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070026

> <COMMON_NAME>
Iridodial glucoside tetraacetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H34O11

> <MASS>
498.21

> <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>
WRILMBKQMSIVJG-CUBFQIDASA-N

> <INCHI>
InChI=1S/C24H34O11/c1-11-7-8-17-12(2)9-30-23(19(11)17)35-24-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)18(34-24)10-29-13(3)25/h9,11,17-24H,7-8,10H2,1-6H3/t11-,17+,18+,19+,20+,21-,22+,23-,24-/m0/s1

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

> <KEGG_ID>
C11657

> <HMDB_ID>
-

> <CHEBI_ID>
5966

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443338

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$