EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175484 - Oryzalic acid B

Default Structure
ChEBI IDCHEBI:175484
ChEBI NameOryzalic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC=C1C2CCC3C(C)(CC(=O)O)C(C(C)(C)C(=O)O)CCC3(C2)C1O
InChIInChI=1S/C20H30O5/c1-11-12-5-6-14-19(4,10-15(21)22)13(18(2,3)17(24)25)7-8-20(14,9-12)16(11)23/h12-14,16,23H,1,5-10H2,2-4H3,(H,21,22)(H,24,25)
InChIKeyDKUYNSVJKKPQRW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Oryzalic acid B (CHEBI:175484) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-[5-(carboxymethyl)-11-hydroxy-5-methyl-10-methylidene-4-tricyclo[7.2.1.01,6]dodecanyl]-2-methylpropanoic acid
Manual XrefsDatabases
35014640ChemSpider
HMDB0038693HMDB