(2R,3R,4R,5S)-6-[4-(3-{[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143442)

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CHEBI:143442 - (2R,3R,4R,5S)-6-[4-(3-{[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:143442
ChEBI Name	(2R,3R,4R,5S)-6-[4-(3-{[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C25H32N2O10
Net Charge	0
Average Mass	520.535
Monoisotopic Mass	520.20570
SMILES	CC(CCc1ccc(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChI	InChI=1S/C25H32N2O10/c1-12(27-11-18(29)14-6-9-17(28)16(10-14)23(26)33)2-3-13-4-7-15(8-5-13)36-25-21(32)19(30)20(31)22(37-25)24(34)35/h4-10,12,18-22,25,27-32H,2-3,11H2,1H3,(H2,26,33)(H,34,35)/t12?,18?,19-,20-,21+,22-,25?/m0/s1
InChIKey	KCEJCVJALDWNQV-DAFDMZOXSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,3R,4R,5S)-6-[4-(3-{[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143442) is a glucosiduronic acid (CHEBI:24302)