LMPR0103410007
  LIPID_MAPS_STRUCTURE_DATABASE

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.2696    7.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    6.7438    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
    5.0000    7.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    6.4889    0.0000 C   0  0  2  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    6.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769    7.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7189    6.4130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9146    8.0832    0.0000 C   0  0  2  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
    9.0491    5.8910    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
    5.2300    5.7043    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
    8.7477    5.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 14  1  1  0  0  0
 10  6  1  0  0  0  0
  6  8  1  0  0  0  0
  9  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  1  0  0  0
 10 11  1  1  0  0  0
 15 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103410007

> <COMMON_NAME>
guaiol

> <SYSTEMATIC_NAME>
guai-1(5)-en-11-ol

> <FORMULA>
C15H26O

> <MASS>
222.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Guaiane sesquiterpenoids [PR010341]

> <SYNONYMS>
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; Guaiol;[3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; champaca camphor; champacol; guaiac alcohol

> <INCHI_KEY>
TWVJWDMOZJXUID-SDDRHHMPSA-N

> <INCHI>
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1

> <SMILES>
C12CC[C@H](C)C=1C[C@H](C(O)(C)C)CC[C@@H]2C

> <KEGG_ID>
C09676

> <HMDB_ID>
-

> <CHEBI_ID>
5552

> <ABBREVIATION>
-

> <CAYMAN_ID>
23172

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
227829

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$