LMPR0104150005
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.9348    6.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6766    5.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4184    6.4175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4184    7.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6766    7.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348    7.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1602    5.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020    6.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020    7.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1602    7.7023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6437    7.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6437    8.5589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9020    8.9871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1602    8.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2483    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1049    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3855    8.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4184    5.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4184    8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1602    6.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020    8.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    7.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.9893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4711    8.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6072    9.8145    0.0000 O   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
  3  7  1  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  4  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
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
 12 17  1  1  0  0  0
  3 18  1  1  0  0  0
  4 19  1  6  0  0  0
 10 20  1  1  0  0  0
 21 13  1  6  0  0  0
  9 22  1  6  0  0  0
 21 22  1  0  0  0  0
  1 23  2  0  0  0  0
 12 24  1  6  0  0  0
 17 25  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104150005

> <COMMON_NAME>
(-)-16alpha,17-Dihydroxy-atisan-3-one

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Villanovane, atisane, trachylobane and helvifulvane diterpenoids [PR010415]

> <SYNONYMS>


> <INCHI_KEY>
GFMRAAZMCOCUCY-NMVHXVBCSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-17(2)14-5-9-19-8-4-13(20(23,11-19)12-21)10-15(19)18(14,3)7-6-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13?,14-,15+,18-,19-,20+/m1/s1

> <SMILES>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186802

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608225

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$