Marvin  01070816592D          

 13 12  0  0  0  0            999 V2000
    2.8579    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  4  2  2  0  0  0  0
  6  2  1  0  0  0  0
 10  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <ID>
CHEBI:48131

> <NAME>
nonanedioic acid

> <DEFINITION>
An α,ω-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40912; CHEBI:2949

> <SYNONYM>
Nonanedioic acid; Nonandisaeure; n-nonanedioic acid; lepargylic acid; Azelainsaeure; azelaic acid; AZELAIC ACID; Azelaic acid; anchoic acid; acidum azelaicum; acide azelaique; 1,9-nonanedioic acid; 1,7-Heptanedicarboxylic acid; 1,7-dicarboxyheptane

> <IUPAC_NAME>
nonanedioic acid

> <BRAND_NAME>
Skinoren; Finacea; Azelex

> <FORMULA>
C9H16O4

> <MASS>
188.22094

> <MONOISOTOPIC_MASS>
188.10486

> <CHARGE>
0

> <SMILES>
OC(=O)CCCCCCCC(O)=O

> <INCHI>
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

> <INCHIKEY>
BDJRBEYXGGNYIS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1101094

> <CAS_REGISTRY_NUMBER>
123-99-9

> <GMELIN_REGISTRY_NUMBER>
261342

> <REAXYS_REGISTRY_NUMBER>
1101094

> <CHEMIDPLUS>
123-99-9

> <DRUGBANK_ACCESSION>
DB00548

> <KEGG_COMPOUND_ACCESSION>
C08261

> <KEGG_DRUG_ACCESSION>
D03034

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01170054

> <METACYC_ACCESSION>
CPD0-1265

> <NIST_CHEMISTRY_WEBBOOK>
123-99-9

> <PDBECHEM_ACCESSION>
AZ1

> <WIKIPEDIA_ACCESSION>
Azelaic_Acid

> <PUBMED_CITATION>
22770225; 24280644; 28600633

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