LMPR0103050010
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0  0  0  0  0  0  0  0999 V2000
    8.2208    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9353    6.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3643    6.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6498    5.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3643    5.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0787    5.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6498    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6498    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064    6.3745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7919    6.7870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0774    6.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    5.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7919    5.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064    5.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208    5.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2044    7.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794    7.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208    5.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630    5.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5015    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
  9 15  1  6  0  0  0
 10 16  1  1  0  0  0
 10 17  1  6  0  0  0
 14 18  1  0  0  0  0
 12 19  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103050010

> <COMMON_NAME>
(+)-8'-hydroxyabscisic acid

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

> <FORMULA>
C15H20O5

> <MASS>
280.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclofarnesane sesquiterpenoids [PR010305]

> <SYNONYMS>
8'-hydroxyabscisic acid

> <INCHI_KEY>
AVFORCKFTWHFAR-ZSIFGTMLSA-N

> <INCHI>
InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15-/m1/s1

> <SMILES>
C(/[C@]1(O)[C@](CO)(C)CC(=O)C=C1C)=C\C(\C)=C/C(O)=O

> <KEGG_ID>
C15514

> <HMDB_ID>
-

> <CHEBI_ID>
20805

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11954194

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$