LMPR0103010034
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  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
   -1.2992   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0364   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7736   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6421   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5107   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3793   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2479   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4351    1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3793    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2454    1.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2454    2.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1114    2.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3793    2.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1122   -0.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9800   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8443   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9834   -1.7404    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
 16 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
 12 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 21 23  2  0     0  0
M  END
> <LM_ID>
LMPR0103010034

> <COMMON_NAME>
Crannenol A

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H28O4

> <MASS>
320.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Acyclic farnesane sesquiterpenoids [PR010301]

> <SYNONYMS>


> <INCHI_KEY>
BRJLYVYGXYFXAJ-CKOAPEAFSA-N

> <INCHI>
InChI=1S/C19H28O4/c1-6-15(2)9-7-10-16(3)11-8-12-19(13-22-17(4)20)14-23-18(5)21/h6,9-10,12H,1,7-8,11,13-14H2,2-5H3/b15-9-,16-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168289002

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
44213

> <CITATION>
36122192

$$$$