LMPR0102010024
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0     0  0            999 V2000
   11.3246    6.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8246    7.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9586    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    7.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3310    7.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6883    6.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3246    6.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3613    7.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    8.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8246    8.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  7 10  1  0  0  0  0
  3 11  1  6  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <LM_ID>
LMPR0102010024

> <COMMON_NAME>
2R3R-epoxyneral

> <SYSTEMATIC_NAME>
2R,3R-Epoxy-3,7-dimethyl-6-octenal

> <FORMULA>
C10H16O2

> <MASS>
168.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Acyclic monoterpenoids [PR010201]

> <SYNONYMS>


> <INCHI_KEY>
KXDDDNKGVUBFQS-VHSXEESVSA-N

> <INCHI>
InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3/t9-,10+/m0/s1

> <SMILES>
C(=O)[C@@H]1O[C@]1(C)CC/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195829

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10931830

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
223537

> <CITATION>
11388473

$$$$