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CHEBI:224062 - N-demethyl-7-O-demethylcelesticetin

ChEBI IDCHEBI:224062
ChEBI NameN-demethyl-7-O-demethylcelesticetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N2O9S
Net Charge0
Average Mass500.570
Monoisotopic Mass500.18285
SMILESC[C@H](O)[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/C22H32N2O9S/c1-11(25)15(24-20(30)13-6-4-8-23-13)19-17(28)16(27)18(29)22(33-19)34-10-9-32-21(31)12-5-2-3-7-14(12)26/h2-3,5,7,11,13,15-19,22-23,25-29H,4,6,8-10H2,1H3,(H,24,30)/t11-,13+,15-,16-,17+,18+,19+,22+/m0/s1
InChIKeyGEJPGRHNEXXHBZ-PWOXNDPSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4781281)
ChEBI Ontology
Outgoing Relation(s)
N-demethyl-7-O-demethylcelesticetin (CHEBI:224062) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2S)-2-hydroxy-1-[[(2R)-pyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulanylethyl 2-hydroxybenzoate
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