Mrv0541 06021412222D          

 13 12  0  0  0  0            999 V2000
   -0.5967   -4.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967   -5.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113   -4.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113   -5.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -4.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -5.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177   -4.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322   -4.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177   -5.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321   -5.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   -4.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   -3.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516   -4.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
  8 11  1  0  0  0  0
 13 11  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
> <ID>
CHEBI:78668

> <NAME>
(E)-10-hydroxydec-2-enoic acid

> <DEFINITION>
An ω-hydroxy amino acid that is 2-decenoic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group and in which the C=C double bond has E configuration. It is a component of royal jelly.

> <STAR>
3

> <SYNONYM>
trans-10-hydroxydec-2-enoic acid; trans-10-hydroxy-2-decenoic acid; 10-hydroxy-2E-decenoic acid; (E)-10-hydroxy-2-decenoic acid; (2E)-10-hydroxy-2-decenoic acid

> <IUPAC_NAME>
(2E)-10-hydroxydec-2-enoic acid

> <FORMULA>
C10H18O3

> <MASS>
186.24810

> <MONOISOTOPIC_MASS>
186.12559

> <CHARGE>
0

> <SMILES>
OCCCCCCC\C=C\C(O)=O

> <INCHI>
InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+

> <INCHIKEY>
QHBZHVUGQROELI-SOFGYWHQSA-N

> <CAS_REGISTRY_NUMBER>
14113-05-4

> <REAXYS_REGISTRY_NUMBER>
1705452

> <CHEMIDPLUS>
14113-05-4

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050157

> <AGRICOLA_CITATION>
IND43970713; IND44636376

> <PUBMED_CITATION>
10327631; 17373456; 17566341; 25789174; 26363875; 30184093; 31614141; 31820078; 31963373; 33050588; 7580313

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