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CHEBI:221969 - 7-O-Demethylcelesticetin C

ChEBI IDCHEBI:221969
ChEBI Name7-O-Demethylcelesticetin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35N3O8S
Net Charge0
Average Mass513.613
Monoisotopic Mass513.21449
SMILESCC(O)C(NC(=O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2N)C(O)C(O)C1O
InChIInChI=1S/C23H35N3O8S/c1-12(27)16(25-21(31)15-8-5-9-26(15)2)20-18(29)17(28)19(30)23(34-20)35-11-10-33-22(32)13-6-3-4-7-14(13)24/h3-4,6-7,12,15-20,23,27-30H,5,8-11,24H2,1-2H3,(H,25,31)
InChIKeyMCXVOLNKDLQSAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces caelestis (ncbitaxon:36816) - PubMed (4436149)
ChEBI Ontology
Outgoing Relation(s)
7-O-Demethylcelesticetin C (CHEBI:221969) is a proline derivative (CHEBI:26273)
IUPAC Name 
2-[3,4,5-trihydroxy-6-[2-hydroxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulanylethyl 2-aminobenzoate
Manual XrefsDatabases
78444503ChemSpider