CHEBI:204931 - 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
ChEBI ID CHEBI:204931
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H20O10
Net Charge 0
Average Mass 384.337
Monoisotopic Mass 384.10565
InChI InChI=1S/C17H20O10/c1-24-15-11(6-19)27-17(14(22)13(15)21)26-8-2-7-3-9(5-18)25-16(23)12(7)10(20)4-8/h2-4,11,13-15,17-22H,5-6H2,1H3/t11-,13-,14-,15-,17-/m1/s1
InChIKey ZPILZKHQFORBSS-WDGOXLLCSA-N
SMILES O=C1OC(=CC=2C1=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)C2)CO
Metabolite of Species Details
Torrubiella (NCBI:txid153665) See: PubMed
ChEBI Ontology
Outgoing 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one (CHEBI:204931) is a glycoside (CHEBI:24400)
IUPAC Name
6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
Manual Xref Database
24624841 ChemSpider
View more database links