Terminology Service for NFDI4Health
JSON

4-hydroxy-3-octaprenylbenzoic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_50116

Term info

Label

4-hydroxy-3-octaprenylbenzoic acid

Synonyms
  • 4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoic acid [ IUPAC ]

charge

0

formula

C47H70O3

has obo namespace

chebi_ontology

id

CHEBI:50116

inchi

InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+

inchikey

UTIBHEBNILDQKX-LQOKPSQISA-N

mass

683.05690

monoisotopicmass

682.53250

smiles

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O