LMPR0103050001
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.9075    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3364    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095    5.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345    5.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1944    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6233    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  6  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 15  1  0  0  0  0
  1 16  2  0  0  0  0
  4 17  1  1  0  0  0
 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103050001

> <COMMON_NAME>
(S)-(+)-Abscisic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O4

> <MASS>
264.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclofarnesane sesquiterpenoids [PR010305]

> <SYNONYMS>


> <INCHI_KEY>
JLIDBLDQVAYHNE-IBPUIESWSA-N

> <INCHI>
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1

> <SMILES>
C1(=O)C=C(C)[C@](O)(/C=C/C(/C)=C/C(=O)O)C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035140

> <CHEBI_ID>
18743

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5702609

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$