LMPR0102070058
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0     0  0            999 V2000
    9.9808   11.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9808   12.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8151   10.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488   11.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8151   12.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0533   12.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6629   11.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852   11.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6629   12.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8107   13.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6493   14.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9719   14.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9808   10.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9808   13.3537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6710    9.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4955    9.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5308   13.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    9.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7999    8.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7867    6.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7898    6.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3040    9.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4577    7.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3072    9.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8014    8.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2924    7.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2940    7.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7999    8.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8014    8.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  1 13  1  1     0  0
  2 14  1  1     0  0
  4 15  1  0     0  0
  4  8  2  0     0  0
 15 16  1  0     0  0
 11 17  1  0     0  0
  3 18  1  1     0  0
 23 29  1  0     0  0
 28 22  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  1     0  0
 24 18  1  1     0  0
 25 19  1  6     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
M  END
> <LM_ID>
LMPR0102070058

> <COMMON_NAME>
Geniposide

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H24O10

> <MASS>
388.14

> <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>
IBFYXTRXDNAPMM-BVTMAQQCSA-N

> <INCHI>
InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1

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

> <KEGG_ID>
C09781

> <HMDB_ID>
-

> <CHEBI_ID>
5299

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
107848

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
58486

> <CITATION>
16204999

$$$$