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CHEBI:217138 - Anaenoic acid

ChEBI IDCHEBI:217138
ChEBI NameAnaenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O7
Net Charge0
Average Mass408.491
Monoisotopic Mass408.21480
SMILESCCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C22H32O7/c1-6-8-9-11-16-12-10-13-17(27-5)18(16)21(25)29-19(14(3)7-2)22(26)28-15(4)20(23)24/h10,12-15,19H,6-9,11H2,1-5H3,(H,23,24)/t14-,15-,19+/m0/s1
InChIKeyTYXOAKSZEQQQPP-YZVOILCLSA-N
Species of MetaboliteComponentSourceComments
Hormoscilla (ncbitaxon:881023) - PubMed (32418432)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Anaenoic acid (CHEBI:217138) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
(2S)-2-[(2R,3S)-2-(2-methoxy-6-pentylbenzoyl)oxy-3-methylpentanoyl]oxypropanoic acid
Manual XrefsDatabases
84285763ChemSpider