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CHEBI:231627 - 6,7-O,O-dimethyldeacetylisoipecoside(1+)

ChEBI IDCHEBI:231627
ChEBI Name6,7-O,O-dimethyldeacetylisoipecoside(1+)
Stars
ASCII Name6,7-O,O-dimethyldeacetylisoipecoside(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H38NO11
Net Charge+1
Average Mass552.597
Monoisotopic Mass552.24394
SMILES[H][C@]1(C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])[NH2+]CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C27H37NO11/c1-5-14-16(9-18-15-10-20(35-3)19(34-2)8-13(15)6-7-28-18)17(25(33)36-4)12-37-26(14)39-27-24(32)23(31)22(30)21(11-29)38-27/h5,8,10,12,14,16,18,21-24,26-32H,1,6-7,9,11H2,2-4H3/p+1/t14-,16+,18+,21-,22-,23+,24-,26+,27+/m1/s1
InChIKeyYRJVFYFTCSOXLY-KPRZXNSKSA-O
ChEBI Ontology
Outgoing Relation(s)
6,7-O,O-dimethyldeacetylisoipecoside(1+) (CHEBI:231627) is a ammonium ion derivative (CHEBI:35274)
UniProt Name  Source
6,7-O,O-dimethyldeacetylisoipecosideUniProt
Citations