CHEBI:224069 - N-demethylcelesticetin

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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 N-demethylcelesticetin
ChEBI ID CHEBI:224069
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H34N2O9S
Net Charge 0
Average Mass 514.590
Monoisotopic Mass 514.19850
InChI InChI=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
InChIKey JGNMAXOBERVZHJ-FWXYZYEUSA-N
SMILES S([C@H]1O[C@H]([C@H](O)[C@@H]([C@H]1O)O)[C@H](NC(=O)[C@H]2NCCC2)[C@H](OC)C)CCOC(=O)C3=C(O)C=CC=C3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78443168 ChemSpider
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