LMPR0102070010
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   14.0012    9.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0698    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2045    9.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0788    7.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3571    8.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2256    7.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9491    7.3718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3623    7.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4916    9.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2345    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5093    7.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382    8.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1154   11.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1113   12.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1790   10.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9776   10.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1708   12.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9776   12.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1072   13.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5962   11.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2135   10.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1708    9.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8347   11.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749   13.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8347   12.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3564   11.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5035   10.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3564   12.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6413   11.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7841   10.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228   11.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7882    9.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    9.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1072   10.1585    0.0000 H   0  0  0  0  0  0  0  0  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
  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
 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
 14 19  1  1  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 15 22  1  6  0  0  0
 16 23  1  0  0  0  0
 17 24  1  1  0  0  0
 18 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 17 20  1  0  0  0  0
 23 25  1  0  0  0  0
 34 35  1  0  0  0  0
 13 36  1  1  0  0  0
 16  1  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070010

> <COMMON_NAME>
Harpagoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H30O11

> <MASS>
494.18

> <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>
KVRQGMOSZKPBNS-FMHLWDFHSA-N

> <INCHI>
InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1

> <SMILES>
O([C@@H]1OC=C[C@@]2(O)[C@@H](C[C@](C)(OC(=O)/C=C/C3C=CC=CC=3)[C@]21[H])O)[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O

> <KEGG_ID>
C09783

> <HMDB_ID>
-

> <CHEBI_ID>
5625

> <ABBREVIATION>
-

> <CAYMAN_ID>
38967

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281542

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
222879

> <CITATION>
-

$$$$