LMPR0104410003
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0     0  0            999 V2000
    7.7926   12.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   12.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   11.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586   11.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586   12.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   12.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   11.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   12.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   13.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906   10.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586   13.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5606    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
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 10  1  0  0  0  0
 12  8  1  0  0  0  0
  5  8  1  0  0  0  0
  5  4  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  1  0  0  0
 12 19  1  1  0  0  0
  8 20  1  1  0  0  0
  6 21  1  1  0  0  0
  3 22  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104410003

> <COMMON_NAME>
elisabethatriene

> <SYSTEMATIC_NAME>
(1R,4S,4aR)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-7-methylidene-1,2,3,4,4a,5,6,7-octahydronaphthalene

> <FORMULA>
C20H32

> <MASS>
272.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Amphilectane, cycloamphilectane, adociane and neoamphilectane diterpenoids [PR010441]

> <SYNONYMS>


> <INCHI_KEY>
DTMNMDQQDKQKIE-INDMIFKZSA-N

> <INCHI>
InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1

> <SMILES>
C1[C@@]2([H])C(=CC(=C)C1)[C@@]([H])([C@@H](C)CC/C=C(/C)\C)CC[C@@H]2C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
52461

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9965325

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1352039

> <CITATION>
-

$$$$