LMPR0103590007
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    8.3649    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3649    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    7.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0970    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0970    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    9.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0483    7.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6361    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0483    9.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5023    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5023    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4988    9.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4988   10.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7310    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8649    6.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988    6.7364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1842    6.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6537    6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2707    9.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330   10.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3645   10.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7672   10.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330   11.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3645   11.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2302   10.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0     0  0
 12 13  2  0     0  0
  3 14  1  0     0  0
 14 15  1  0     0  0
 15  2  1  0     0  0
 15 16  2  0     0  0
  4 17  1  1     0  0
  3 18  1  6     0  0
  5 19  1  1     0  0
 13 20  1  0     0  0
 13 21  1  0     0  0
 20 22  2  0     0  0
 20 23  1  0     0  0
 21 24  2  0     0  0
 21 25  1  0     0  0
  6 25  1  1     0  0
M  END
> <LM_ID>
LMPR0103590007

> <COMMON_NAME>
Lentinellic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H20O5

> <MASS>
316.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Illudane and protoilludane sesquiterpenoids [PR010359]

> <SYNONYMS>


> <INCHI_KEY>
JMNIXMWRRYDXON-MSNRECKUSA-N

> <INCHI>
InChI=1S/C18H20O5/c1-17(2)5-10-11(6-17)18(3)7-12(19)13(18)8-4-9(15(20)21)16(22)23-14(8)10/h4,10-11,14H,5-7H2,1-3H3,(H,20,21)/t10-,11+,14-,18-/m1/s1

> <SMILES>
C12C=C(C(O[C@H]1[C@]1([H])CC(C)(C)C[C@]1([H])[C@@]1(C)CC(=O)C=21)=O)C(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139588001

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2488103

> <CITATION>
3388954

$$$$