CHEBI:179872 - Ikarisoside E

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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 Ikarisoside E
ChEBI ID CHEBI:179872
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H26O10
Net Charge 0
Average Mass 498.484
Monoisotopic Mass 498.15260
InChI InChI=1S/C26H26O10/c1-11-18(29)20(31)21(32)25(33-11)35-24-19(30)17-15(28)10-16-14(8-9-26(2,3)36-16)23(17)34-22(24)12-4-6-13(27)7-5-12/h4-11,18,20-21,25,27-29,31-32H,1-3H3/t11-,18-,20+,21+,25-/m0/s1
InChIKey FRKNVAWDQIICIE-JVERBMLMSA-N
SMILES O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC=4OC(C=CC34)(C)C)C5=CC=C(O)C=C5)C
ChEBI Ontology
Outgoing Ikarisoside E (CHEBI:179872) is a flavonoids (CHEBI:72544)
Ikarisoside E (CHEBI:179872) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
Manual Xref Database
4587706 ChemSpider
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Registry Number Type Source
113558-13-7 CAS Registry Number ChemIDplus