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CHEBI:181362 - Cnidioside A

ChEBI IDCHEBI:181362
ChEBI NameCnidioside A
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SubmitterMetaboLights
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FormulaC17H20O9
Net Charge0
Average Mass368.338
Monoisotopic Mass368.11073
SMILESO=C(O)CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H20O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h3-6,12,14-18,21-23H,1-2,7H2,(H,19,20)/t12-,14-,15+,16-,17-/m1/s1
InChIKeyOHMWGMHIZWOKHV-USACIQFYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cnidioside A (CHEBI:181362) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-5-yl]propanoic acid
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