CHEBI:181362 - Cnidioside A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cnidioside A
ChEBI ID CHEBI:181362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H20O9
Net Charge 0
Average Mass 368.338
Monoisotopic Mass 368.11073
InChI InChI=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
InChIKey OHMWGMHIZWOKHV-USACIQFYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(CCC(O)=O)C=C3C(OC=C3)=C2)CO
ChEBI Ontology
Outgoing 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
Manual Xref Database
10213905 ChemSpider
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