LMPR0103410004
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    6.7438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2696    7.5688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4849    6.4889    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9146    6.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7189    6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0768    7.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7189    7.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    8.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2333    5.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    5.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9319    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7310    8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300    5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    8.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    5.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  6  0  0  0
  2  4  1  0  0  0  0
  4  3  1  0  0  0  0
 10  4  1  0  0  0  0
  4 16  1  6  0  0  0
  5  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5 15  1  1  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  7 11  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103410004

> <COMMON_NAME>
(+)-guaia-6,9-diene

> <SYSTEMATIC_NAME>
guaia-6,9-diene

> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Guaiane sesquiterpenoids [PR010341]

> <SYNONYMS>
(1S,3aR,8aR)-1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,6,8a-hexahydroazulene;(1S,3aR,8aR)-7-isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazulene

> <INCHI_KEY>
RCMUGHFHXFHKNW-QEJZJMRPSA-N

> <INCHI>
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,9-10,12,14-15H,6-8H2,1-4H3/t12-,14-,15-/m0/s1

> <SMILES>
C1[C@H](C)[C@]2([C@]([H])(C(C)=CCC(C(C)C)=C2)C1)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
49204

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14190790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$