ChEBI
  Marvin  11181111172D          

 22 21  0  0  0  0            999 V2000
   25.5283  -18.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8138  -19.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5283  -17.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0992  -18.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3847  -19.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6703  -18.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9558  -19.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2428  -19.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2413  -18.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2413  -20.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0663  -20.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7807  -19.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4952  -20.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3202  -20.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0347  -19.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7491  -20.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4636  -19.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1781  -20.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8926  -19.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8288  -19.4590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.0038  -19.4590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4204  -20.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 20  1  0  0  0  0
 20 10  1  0  0  0  0
 10 11  2  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:34485

> <NAME>
8(R)-HPODE

> <DEFINITION>
The 8(R)-isomer of HPODE.

> <STAR>
3

> <SYNONYM>
8(R)-HPODE; (9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid; (8R)-8-hydroperoxylinoleic acid

> <IUPAC_NAME>
(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.44430

> <MONOISOTOPIC_MASS>
312.23006

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/[C@@H](CCCCCCC(O)=O)OO

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1

> <INCHIKEY>
RGJSGXNKRWWCOQ-QMEIEYGNSA-N

> <KEGG_COMPOUND_ACCESSION>
C14831

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01040066

> <PUBMED_CITATION>
19286665; 8662736

$$$$