CHEBI:229026 - 6,7-Dihydroxy-1-methyl-N-(6'-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline

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 6,7-Dihydroxy-1-methyl-N-(6'-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline
ChEBI ID CHEBI:229026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H23NO7
Net Charge 0
Average Mass 341.360
Monoisotopic Mass 341.14745
InChI InChI=1S/C16H23NO7/c1-8-10-5-12(20)11(19)4-9(10)2-3-17(8)16(7-18)15(23)14(22)13(21)6-24-16/h4-5,8,13-15,18-23H,2-3,6-7H2,1H3/t8-,13+,14+,15-,16+/m0/s1
InChIKey LBVWWSOSCKMNMX-NXPHAWEXSA-N
SMILES O1[C@@](N2[C@H](C=3C(CC2)=CC(O)=C(O)C3)C)([C@@H](O)[C@H](O)[C@H](O)C1)CO
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 6,7-Dihydroxy-1-methyl-N-(6'-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline (CHEBI:229026) is a isoquinolines (CHEBI:24922)
IUPAC Name
(2R,3S,4R,5R)-2-[(1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(hydroxymethyl)oxane-3,4,5-triol