LMPR0104060002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.3744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4289    7.1994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7145    7.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    7.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    8.4369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8579    8.8494    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1434    8.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    8.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    7.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    8.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    9.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    8.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    8.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    8.8494    0.0000 C   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  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  1  0  0  0
 11 18  2  0  0  0  0
 14 19  2  0  0  0  0
 13 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104060002

> <COMMON_NAME>
Lanugone A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H26O3

> <MASS>
314.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cycloaibetiane and Abeoabietaine diterpenoids [PR010406]

> <SYNONYMS>


> <INCHI_KEY>
CASURZYJSMDOEQ-CBTMWXCYSA-N

> <INCHI>
InChI=1S/C20H26O3/c1-5-7-13-16(21)12-8-9-14-19(2,3)10-6-11-20(14,4)15(12)18(23)17(13)22/h5,8-9,13-14,17,22H,1,6-7,10-11H2,2-4H3/t13?,14?,17?,20-/m0/s1

> <SMILES>
C1C[C@]2(C)C3C(=O)C(O)C(CC=C)C(=O)C=3C=CC2C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187052

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608210

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$