LMPR0103270003
  LIPID_MAPS_STRUCTURE_DATABASE

 15 16  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7144    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8578    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4 14  1  1  0  0  0
  5  3  1  0  0  0  0
  2  5  1  0  0  0  0
  6  4  1  0  0  0  0
  1  6  1  0  0  0  0
  6 15  1  1  0  0  0
  8  7  1  0  0  0  0
  8 11  1  6  0  0  0
  9  7  1  0  0  0  0
  3  9  2  0  0  0  0
 10  8  1  0  0  0  0
  4 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103270003

> <COMMON_NAME>
(+)-aristolochene

> <SYSTEMATIC_NAME>
(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 7betaH-eremophila-9,11-diene

> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Aristolane sesquiterpenoids [PR010327]

> <SYNONYMS>
(+)-Aristolochene;(+)-aristolochene;(1S,7S,8aR)-aristolochene; Aristolochene

> <INCHI_KEY>
YONHOSLUBQJXPR-KCQAQPDRSA-N

> <INCHI>
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1

> <SMILES>
C1[C@H](C)[C@]2(C[C@@H](C(C)=C)CC=C2CC1)C

> <KEGG_ID>
C02004

> <HMDB_ID>
-

> <CHEBI_ID>
43445

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
656496

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$