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CHEBI:184068 - Lyalosidic acid

ChEBI IDCHEBI:184068
ChEBI NameLyalosidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N2O9
Net Charge0
Average Mass512.515
Monoisotopic Mass512.17948
SMILESC=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1Cc1nccc2c1nc1ccccc12
InChIInChI=1S/C26H28N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-8,11-12,15,19,21-23,25-26,28-32H,1,9-10H2,(H,33,34)/t12-,15+,19-,21-,22+,23-,25+,26+/m1/s1
InChIKeyUZLBTLIRYSYTRG-PVAZCJMFSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
Lyalosidic acid (CHEBI:184068) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2S,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Manual XrefsDatabases
8567120ChemSpider