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CHEBI:183903 - beta-d-glucopyranosiduronic acid, 4-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]butyl

ChEBI IDCHEBI:183903
ChEBI Namebeta-d-glucopyranosiduronic acid, 4-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]butyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H29NO8
Net Charge0
Average Mass519.550
Monoisotopic Mass519.18932
SMILESO=C(c1cccc2ccccc12)c1cn(CCCCO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
InChIInChI=1S/C29H29NO8/c31-23(20-12-7-9-17-8-1-2-10-18(17)20)21-16-30(22-13-4-3-11-19(21)22)14-5-6-15-37-29-26(34)24(32)25(33)27(38-29)28(35)36/h1-4,7-13,16,24-27,29,32-34H,5-6,14-15H2,(H,35,36)/t24-,25-,26+,27-,29+/m0/s1
InChIKeyVFGKIHYPMBEHBR-DYXRGMLLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
beta-d-glucopyranosiduronic acid, 4-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]butyl (CHEBI:183903) is a indolecarboxamide (CHEBI:46921)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-[3-(naphthalene-1-carbonyl)indol-1-yl]butoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
29341698ChemSpider