LMPR0104190003
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    6.7204   -8.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204   -7.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204   -7.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204   -9.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204   -9.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2204   -9.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204  -10.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7204  -10.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7204   -6.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204   -6.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2204   -7.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2204   -7.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7205   -8.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2206   -9.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204  -11.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7204   -6.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2203   -5.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2203   -5.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7203   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7206  -10.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4276   -7.8736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4276   -9.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204   -8.5807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  4  2  0     0  0
  3  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  6  1  0     0  0
  8 15  1  0     0  0
  2 16  1  0     0  0
 10 17  1  0     0  0
 17 18  1  0     0  0
 17 19  1  0     0  0
 14 20  2  0     0  0
 13 21  1  0     0  0
 13 22  1  1     0  0
 11 23  1  6     0  0
M  END
> <LM_ID>
LMPR0104190003

> <COMMON_NAME>
Kagimminol A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Cembrane diterpenoids [PR010419]

> <SYNONYMS>


> <INCHI_KEY>
UWCDFXBLLXOWRX-GUFHTRJOSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19(22)20(5,23)13-18(17)21/h8-9,11,14,18,21,23H,6-7,10,12-13H2,1-5H3/b15-9+,16-8+,17-11-/t18-,20-/m0/s1

> <SMILES>
C1CC=C(C)CCC(=O)[C@@](C)(O)C[C@H](O)C(C(C)C)=CC=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2634635

> <CITATION>
38381613

$$$$