CHEBI:187200 - Icariside E5

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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 Icariside E5
ChEBI ID CHEBI:187200
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O11
Net Charge 0
Average Mass 522.547
Monoisotopic Mass 522.21011
InChI InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3+/t16-,21+,22+,23-,24+,26-/m0/s1
InChIKey UFFRBCKYXMEITK-RUBGFCLFSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C([C@@H](CC3=CC(OC)=C(O)C=C3)CO)C=C(C=C2OC)/C=C/CO)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Icariside E5 (CHEBI:187200) is a glycoside (CHEBI:24400)
Icariside E5 (CHEBI:187200) is a stilbenoid (CHEBI:26776)
IUPAC Name
(2S,3R,4S,5S,6R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
28424399 ChemSpider
HMDB0034749 HMDB
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