LMPR0102070052
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    8.3040   -1.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -1.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -2.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3040   -3.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4243   -2.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4243   -1.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582   -3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443   -4.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3040   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3040   -4.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443   -0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4958   -1.2499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4197   -3.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2393   -0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3873   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4823   -0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405   -1.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3169   -6.5267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0777   -7.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8332   -6.5269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0779   -4.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6081   -5.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1946   -5.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1946   -6.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0779   -6.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   -6.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   -5.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8332   -4.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    0.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4243    0.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0634   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1508   -4.4878    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  1     0  0
  5 15  1  1     0  0
 13 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 17 19  1  1     0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 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  0     0  0
 29 30  1  6     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 25 12  1  6     0  0
 11 31  1  0     0  0
 11 32  2  0     0  0
 31 33  1  0     0  0
 10 34  1  0     0  0
M  END
> <LM_ID>
LMPR0102070052

> <COMMON_NAME>
Diffusoside D

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O12

> <MASS>
462.17

> <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>
GJMJRPLSZYINRT-RYRCLFKYSA-N

> <INCHI>
InChI=1S/C20H30O12/c1-8(23)6-29-11-3-9(4-21)13-14(11)10(18(27)28-2)7-30-19(13)32-20-17(26)16(25)15(24)12(5-22)31-20/h3,7-8,11-17,19-26H,4-6H2,1-2H3/t8-,11+,12+,13+,14-,15+,16-,17+,19-,20-/m0/s1

> <SMILES>
C1(C(=O)OC)[C@@]2([H])[C@H](OC[C@@H](O)C)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>
171120083

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
254027

> <CITATION>
33032459

$$$$