LMPR0103590002
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
    7.2326    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9646    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9646    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    7.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5035    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    9.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666    7.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    6.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986   10.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666    8.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1745    6.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  8 10  1  6  0  0  0
  8 11  1  1  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
  6 14  2  0  0  0  0
  1 15  1  1  0  0  0
  1 16  1  6  0  0  0
  3 17  1  0  0  0  0
  7 18  1  6  0  0  0
 11 19  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103590002

> <COMMON_NAME>
(-)-Illudin S

> <SYSTEMATIC_NAME>
(-)-1alpha,7beta,12-trihydroxy-2,9-illudadien-8-one

> <FORMULA>
C15H20O4

> <MASS>
264.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Illudane and protoilludane sesquiterpenoids [PR010359]

> <SYNONYMS>


> <INCHI_KEY>
DDLLIYKVDWPHJI-RDBSUJKOSA-N

> <INCHI>
InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1

> <SMILES>
[C@@]1(C)(O)C(=O)C2=C[C@](CO)(C)[C@H](O)C2=C(C)C21CC2

> <KEGG_ID>
C09688

> <HMDB_ID>
-

> <CHEBI_ID>
5867

> <ABBREVIATION>
-

> <CAYMAN_ID>
17451

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
344200

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
71963

> <CITATION>
10070774

$$$$