LMPR0103160001
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0     0  0            999 V2000
    7.7903    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6550    6.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6550    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    8.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    6.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5378    8.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4535    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1150    8.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082    9.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6333    9.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8316    9.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    7.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4180    7.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8316   10.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5197    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  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 11  1  0  0  0  0
 11  7  1  0  0  0  0
  7 12  1  6  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  5 15  1  0  0  0  0
 12 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103160001

> <COMMON_NAME>
1,13-Dihydroxy-herbertene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Herbertane sesquiterpenoids [PR010316]

> <SYNONYMS>


> <INCHI_KEY>
RWRCROWOIGNRGD-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-11-5-6-13(17)12(9-11)15(10-16)8-4-7-14(15,2)3/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t15-/m0/s1

> <SMILES>
C1=CC(C)=CC([C@@]2(CO)CCCC2(C)C)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183148

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15545709

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
280633

> <CITATION>
11142851

$$$$