LMPR0104530002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6323    7.3837    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6323    6.5587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4169    6.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9018    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4169    7.6387    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9873    7.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830    7.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830    6.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873    6.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6323    5.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4169    8.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1314    8.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    8.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5603    8.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2748    8.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2748    7.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9893    8.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6323    8.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2008    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8336    9.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1314    9.7012    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  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  6  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  6  0  0  0
 10 21  2  0  0  0  0
 13 22  1  1  0  0  0
 14 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104530002

> <COMMON_NAME>
(-)-Reiswigin A

> <SYSTEMATIC_NAME>
(-)-3-sphenoloben-5,16-dione

> <FORMULA>
C20H32O2

> <MASS>
304.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Sphenolobane diterpenoids [PR010453]

> <SYNONYMS>


> <INCHI_KEY>
HMQKHBRCNQTKFX-NHAYFPRASA-N

> <INCHI>
InChI=1S/C20H32O2/c1-13(2)6-9-18(21)15(4)16-10-11-20(5)17(16)8-7-14(3)12-19(20)22/h12-13,15-17H,6-11H2,1-5H3/t15-,16+,17+,20-/m1/s1

> <SMILES>
[C@@]12([H])CCC(C)=CC(=O)[C@]1(C)CC[C@H]2[C@@H](C)C(=O)CCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608269

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$