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CHEBI:182749 - 3-[2-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid

ChEBI IDCHEBI:182749
ChEBI Name3-[2-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O9
Net Charge0
Average Mass358.343
Monoisotopic Mass358.12638
SMILESCOc1c(CCC(=O)O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H22O9/c1-23-15-8(5-6-11(18)19)3-2-4-9(15)24-16-14(22)13(21)12(20)10(7-17)25-16/h2-4,10,12-14,16-17,20-22H,5-7H2,1H3,(H,18,19)/t10-,12-,13+,14-,16-/m1/s1
InChIKeyVLHQGQCFFBCKMV-RSQMQNDGSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
3-[2-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid (CHEBI:182749) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[2-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Manual XrefsDatabases
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