ChEBI


 15 16  0  0  1  0  0  0  0  0  1 V2000
   10.7229   -6.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9712   -6.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1643   -7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1643   -5.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3367   -5.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5987   -5.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5953   -7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3367   -7.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8746   -6.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9332   -7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8781   -6.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8367   -5.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8436   -7.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608   -6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7091   -6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 11  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <ID>
CHEBI:15861

> <NAME>
trichodiene

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9689; CHEBI:15259; CHEBI:27103

> <SYNONYM>
trichodiene; Trichodiene; 1,4-dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene

> <IUPAC_NAME>
(4S)-1,4-dimethyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexene

> <FORMULA>
C15H24

> <MASS>
204.35106

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
CC1=CC[C@](C)(CC1)[C@@]1(C)CCCC1=C

> <INCHI>
InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1

> <INCHIKEY>
YFLSTROSSKYYNK-CABCVRRESA-N

> <CAS_REGISTRY_NUMBER>
28624-60-4

> <KEGG_COMPOUND_ACCESSION>
C01860

> <KNAPSACK_ACCESSION>
C00012601

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0103180001

$$$$