CHEBI:175271 - Dattelic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dattelic acid
ChEBI ID CHEBI:175271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O8
Net Charge 0
Average Mass 336.296
Monoisotopic Mass 336.08452
InChI InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+
InChIKey QMPHZIPNNJOWQI-DUXPYHPUSA-N
SMILES O(C1C(O)C(O)C=C(C1)C(O)=O)C(=O)/C=C/C2=CC(O)=C(O)C=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dattelic acid (CHEBI:175271) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name
5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
Manual Xrefs Databases
13198506 ChemSpider
HMDB0033999 HMDB
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