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CHEBI:226726 - Conoideoglucoside A

Default Structure
ChEBI IDCHEBI:226726
ChEBI NameConoideoglucoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O8
Net Charge0
Average Mass378.377
Monoisotopic Mass378.13147
SMILESC=C(C)C#Cc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyMCPASLFHBYHQJW-VYIWNADRSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2019.05.007)
ChEBI Ontology
Outgoing Relation(s)
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