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CHEBI:217025 - Acaudiolic acid

Default Structure
ChEBI IDCHEBI:217025
ChEBI NameAcaudiolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O7
Net Charge0
Average Mass300.307
Monoisotopic Mass300.12090
SMILESC[C@H](O)[C@H](O)/C=C/C(=O)O[C@@H](C)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C14H20O7/c1-9(3-4-11(16)5-7-13(18)19)21-14(20)8-6-12(17)10(2)15/h5-10,12,15,17H,3-4H2,1-2H3,(H,18,19)/b7-5+,8-6+/t9-,10-,12+/m0/s1
InChIKeyLONPBBGVPRWHEF-VEECKZCXSA-N
Species of MetaboliteComponentSourceComments
Acaulium (ncbitaxon:1960041) - PubMed (29624065)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Acaudiolic acid (CHEBI:217025) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
(E,7S)-7-[(E,4R,5S)-4,5-dihydroxyhex-2-enoyl]oxy-4-oxooct-2-enoic acid
Manual XrefsDatabases
78439895ChemSpider