LMPR0103160004
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    7.7897    6.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    6.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    7.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7897    8.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    7.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    6.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5369    8.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4526    7.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1140    8.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6073    9.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6324    9.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8309    9.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6689    7.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4170    7.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    8.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5188    6.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    9.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1941    9.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7897    5.3602    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
  2 16  1  0  0  0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
  1 19  1  0     0  0
M  END
> <LM_ID>
LMPR0103160004

> <COMMON_NAME>
12-methoxyherbertene-1,2-diol

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H24O3

> <MASS>
264.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Herbertane sesquiterpenoids [PR010316]

> <SYNONYMS>


> <INCHI_KEY>
WBWSSBOUYGDHAI-MRXNPFEDSA-N

> <INCHI>
InChI=1S/C16H24O3/c1-15(2)6-5-7-16(15,3)12-8-11(10-19-4)9-13(17)14(12)18/h8-9,17-18H,5-7,10H2,1-4H3/t16-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15545710

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
280633

> <CITATION>
11142851

$$$$