LMPR0103050013
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0  0  0  0  0  0  0  0999 V2000
    8.0510    6.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1946    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4801    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1946    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4801    6.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4801    7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366    6.2374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6221    6.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0346    7.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096    7.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  7  3  2  0  0  0  0
  3  5  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
 14  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 12 18  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103050013

> <COMMON_NAME>
1'-deoxyabscisic acid

> <SYSTEMATIC_NAME>
3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-2Z,4E-pentadienoic acid

> <FORMULA>
C15H20O3

> <MASS>
248.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclofarnesane sesquiterpenoids [PR010305]

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
18844

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
50909797

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0103050013

$$$$