LMPR0103850001
  LIPID_MAPS_STRUCTURE_DATABASE

 17 19  0     0  0            999 V2000
    7.6529    7.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    8.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6688    8.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6688    7.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4619    6.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    6.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9196    7.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    8.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4619    9.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3491    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2316   10.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9842    8.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    7.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9515    7.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    9.4339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    6.3297    0.0000 H   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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  5 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  1  0  0  0
 13 14  1  0  0  0  0
  7 14  1  1  0  0  0
 14 15  2  0  0  0  0
  2 16  1  1  0  0  0
  1 17  1  1  0  0  0
M  END
> <LM_ID>
LMPR0103850001

> <COMMON_NAME>
(-)-Isorotundene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NPHFULIVCUBDDN-DVLUHMITSA-N

> <INCHI>
InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h10,12-14H,2,4-9H2,1,3H3/t10-,12-,13-,14+,15-/m1/s1

> <SMILES>
[C@]12([H])C[C@@H]3C(=C)C[C@](C)([C@@]1([H])CC[C@H]2C)CC3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
636596

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
512623

> <CITATION>
12430727

$$$$