Ketcher 07081516292D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
    7.3361  -11.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700  -11.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700  -13.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040  -11.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040  -12.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2021  -11.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681  -11.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050  -10.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379  -11.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720  -11.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7380  -13.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720  -12.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3361  -12.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  6  1  0     0  0
  6  8  2  0     0  0
  9  4  1  0     0  0
 10  9  1  0     0  0
 11  5  1  0     0  0
 12 10  1  0     0  0
 12 11  1  0     0  0
  3 13  2  0     0  0
M  END
> <ID>
CHEBI:35045

> <NAME>
10-undecenoic acid

> <DEFINITION>
An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems.

> <STAR>
3

> <SYNONYM>
Undecenoic acid; Undecen-10-saeure; undecen-10-acid-1; undecelinic acid; omega-undecenoic acid; omega-hendecenoic acid; acido 10-undecenoico; acide 10-undecylique; acide 10-undecanoique; 10-undecylenic acid; 10-Undecensaeure; 10-undecenoic acid; 10-hendecenoic acid

> <IUPAC_NAME>
undec-10-enoic acid

> <FORMULA>
C11H20O2

> <MASS>
184.27530

> <MONOISOTOPIC_MASS>
184.14633

> <CHARGE>
0

> <SMILES>
OC(=O)CCCCCCCCC=C

> <INCHI>
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)

> <INCHIKEY>
FRPZMMHWLSIFAZ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1762631

> <CAS_REGISTRY_NUMBER>
112-38-9

> <GMELIN_REGISTRY_NUMBER>
408390

> <REAXYS_REGISTRY_NUMBER>
1762631

> <CHEMIDPLUS>
112-38-9

> <KEGG_COMPOUND_ACCESSION>
C13910

> <KEGG_DRUG_ACCESSION>
D02159

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030036

> <NIST_CHEMISTRY_WEBBOOK>
112-38-9

> <WIKIPEDIA_ACCESSION>
Undecylenic_acid

> <PUBMED_CITATION>
19650106; 20270055; 22947450

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