LMPR0104220001
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.3156    6.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2866    7.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0739    6.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0887    5.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3131    4.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235    4.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7355    4.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    5.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6325    7.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202    8.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8912    8.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5743    8.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    9.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9689    7.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7717    3.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9893    2.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7022    3.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2918    6.8616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3371    5.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6161    4.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9465    6.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525    7.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0     0  0
  4  6  1  0     0  0
  3  4  2  0     0  0
  2  3  1  0     0  0
  1  2  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  1 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13  2  1  0     0  0
 11 14  1  0     0  0
  3 15  1  0     0  0
  7 16  1  1     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
  5 19  1  1     0  0
 20  7  1  0     0  0
  6 20  1  0     0  0
  5 20  1  0     0  0
 20 21  1  6     0  0
  1 22  1  6     0  0
  2 23  1  1     0  0
M  END
> <LM_ID>
LMPR0104220001

> <COMMON_NAME>
Sphaerodiene

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32

> <MASS>
272.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MZJCHNJBJJJNOV-IVDHNXQLSA-N

> <INCHI>
InChI=1S/C20H32/c1-13(2)18-8-9-19-17-12-14(3)6-7-16(17)15(4)10-11-20(18,19)5/h10,12-13,16-19H,6-9,11H2,1-5H3/t16-,17+,18-,19-,20+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163044367

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
31467

> <CITATION>
-

$$$$