LMPR0103010037
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9052   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7738   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6424   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3796   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2483   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4351    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9052    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3796    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2458    1.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1126   -0.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9804   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8448   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9838   -1.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  3 13  2  0     0  0
  7 14  1  0     0  0
 11 15  1  0     0  0
 15 16  1  0     0  0
 12 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
M  END
> <LM_ID>
LMPR0103010037

> <COMMON_NAME>
Crannenol D

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H26O3

> <MASS>
278.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Acyclic farnesane sesquiterpenoids [PR010301]

> <SYNONYMS>


> <INCHI_KEY>
KPLJEKBVCHDNKM-DTHCEVFGSA-N

> <INCHI>
InChI=1S/C17H26O3/c1-5-14(2)8-6-9-15(3)10-7-11-17(12-18)13-20-16(4)19/h5,8-9,11,18H,1,6-7,10,12-13H2,2-4H3/b14-8-,15-9+,17-11+

> <SMILES>
C(=C/C/C=C(\C)/CC/C=C(\CO)/COC(=O)C)(/C=C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119965

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
44213

> <CITATION>
36122192

$$$$