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CHEBI:182119 - Erionic acid E

ChEBI IDCHEBI:182119
ChEBI NameErionic acid E
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FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC(C)=CCc1cc(C(=O)O)cc(CCC(C)C(=O)/C=C/C(C)(C)O)c1O
InChIInChI=1S/C22H30O5/c1-14(2)6-8-16-12-18(21(25)26)13-17(20(16)24)9-7-15(3)19(23)10-11-22(4,5)27/h6,10-13,15,24,27H,7-9H2,1-5H3,(H,25,26)/b11-10+
InChIKeyLQMRAHHWCLZHQD-ZHACJKMWSA-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)
Erionic acid E (CHEBI:182119) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid
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