LMPR0102070054
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    8.3117   -1.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921   -1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921   -2.9993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117   -3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4312   -2.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4312   -1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4642   -3.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8665   -2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4642   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -4.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117   -0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117   -4.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -0.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5028   -1.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266   -3.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2442   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3914   -0.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3246   -6.5328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0871   -7.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8442   -6.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0873   -4.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6198   -5.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2031   -5.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2031   -6.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0873   -6.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9657   -6.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9657   -5.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8442   -4.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921    0.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4312    0.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0728   -0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556   -4.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9  6  1  0     0  0
  7 10  1  0     0  0
  1 11  1  0     0  0
  4 12  1  1     0  0
  9 13  1  1     0  0
  6 14  1  6     0  0
  5 15  1  6     0  0
 13 16  1  0     0  0
 16 17  1  0     0  0
 22 28  1  0     0  0
 27 21  1  0     0  0
 21 23  1  0     0  0
 23 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  6     0  0
 24 18  1  1     0  0
 25 19  1  6     0  0
 26 20  1  1     0  0
 23 12  1  6     0  0
 11 29  1  0     0  0
 11 30  2  0     0  0
 29 31  1  0     0  0
 10 32  1  0     0  0
M  END
> <LM_ID>
LMPR0102070054

> <COMMON_NAME>
Diffusoside A

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H28O11

> <MASS>
432.16

> <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>
WGNXATPUZSSFNF-IKDKQQDTSA-N

> <INCHI>
InChI=1S/C19H28O11/c1-3-27-10-4-8(5-20)12-13(10)9(17(25)26-2)7-28-18(12)30-19-16(24)15(23)14(22)11(6-21)29-19/h4,7,10-16,18-24H,3,5-6H2,1-2H3/t10-,11-,12+,13-,14-,15+,16-,18+,19+/m1/s1

> <SMILES>
C1(C(=O)OC)[C@]2([H])[C@H](OCC)C=C(CO)[C@]2([H])[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)OC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163011094

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
254027

> <CITATION>
20080156

$$$$