LMPR0103050012
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.9075    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2094    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7652    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.4851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0509    6.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    7.7226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6231    6.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4 14  1  0  0  0  0
  1  6  1  0  0  0  0
  6  2  1  0  0  0  0
  2  8  2  0  0  0  0
  8 14  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  1  0  0  0
 16 18  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103050012

> <COMMON_NAME>
(R)-2-trans-abscisic acid

> <SYSTEMATIC_NAME>
(2E,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

> <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>
(7E,9E)-(6R)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid

> <INCHI_KEY>
JLIDBLDQVAYHNE-XQFZKXHBSA-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-/m0/s1

> <SMILES>
C1C(=O)C=C(C)[C@@](O)(/C=C/C(/C)=C/C(O)=O)C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
18657

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
636693

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$