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CHEBI:224069 - N-demethylcelesticetin

ChEBI IDCHEBI:224069
ChEBI NameN-demethylcelesticetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34N2O9S
Net Charge0
Average Mass514.597
Monoisotopic Mass514.19850
SMILESCO[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H]1O[C@H](SCCOC(=O)c2ccccc2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H34N2O9S/c1-12(32-2)16(25-21(30)14-7-5-9-24-14)20-18(28)17(27)19(29)23(34-20)35-11-10-33-22(31)13-6-3-4-8-15(13)26/h3-4,6,8,12,14,16-20,23-24,26-29H,5,7,9-11H2,1-2H3,(H,25,30)/t12-,14+,16-,17+,18-,19-,20+,23-/m1/s1
InChIKeyJGNMAXOBERVZHJ-FWXYZYEUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4781281)
ChEBI Ontology
Outgoing Relation(s)
N-demethylcelesticetin (CHEBI:224069) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulanylethyl 2-hydroxybenzoate
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