CHEBI:226726 - Conoideoglucoside A

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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 Conoideoglucoside A
ChEBI ID CHEBI:226726
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O8
Net Charge 0
Average Mass 378.377
Monoisotopic Mass 378.13147
InChI InChI=1S/C19H22O8/c1-10(2)4-5-11-8-12(18(23)24)6-7-13(11)26-19-16(22)15(21)17(25-3)14(9-20)27-19/h6-8,14-17,19-22H,1,9H2,2-3H3,(H,23,24)/t14-,15-,16-,17-,19-/m1/s1
InChIKey MCPASLFHBYHQJW-VYIWNADRSA-N
SMILES O=C(O)C1=CC(C#CC(=C)C)=C(O[C@@H]2O[C@@H]([C@@H](OC)[C@@H]([C@H]2O)O)CO)C=C1
Metabolite of Species Details
Conoideocrella (NCBI:txid1105318) See: DOI
ChEBI Ontology
Outgoing Conoideoglucoside A (CHEBI:226726) is a glycoside (CHEBI:24400)
IUPAC Name
4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(3-methylbut-3-en-1-ynyl)benzoic acid