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CHEBI:233543 - (2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium-6-ol-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranoside

ChEBI IDCHEBI:233543
ChEBI Name(2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium-6-ol-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranoside
Stars
ASCII Name(2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-6-ol-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl beta-D-glucopyranoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC27H35N2O10
Net Charge+1
Average Mass547.581
Monoisotopic Mass547.22862
SMILES[H][C@@]1(C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2C=C)[NH2+]CCc2c1nc1ccc(O)cc21
InChIInChI=1S/C27H34N2O10/c1-3-13-15(9-19-21-14(6-7-28-19)16-8-12(31)4-5-18(16)29-21)17(25(35)36-2)11-37-26(13)39-27-24(34)23(33)22(32)20(10-30)38-27/h3-5,8,11,13,15,19-20,22-24,26-34H,1,6-7,9-10H2,2H3/p+1/t13-,15+,19+,20-,22-,23+,24-,26+,27+/m1/s1
InChIKeyQLABDTXGSORRAP-UOLVONRJSA-O
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium-6-ol-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranoside (CHEBI:233543) is a indole alkaloid cation (CHEBI:60521)
UniProt Name  Source
(2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium-6-ol-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranosideUniProt
Citations