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CHEBI:176179 - Didymin

ChEBI IDCHEBI:176179
ChEBI NameDidymin
Stars
Last Modified6 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O14
Net Charge0
Average Mass594.566
Monoisotopic Mass594.19486
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1
InChIInChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKeyRMCRQBAILCLJGU-HIBKWJPLSA-N
ChEBI Ontology
Outgoing Relation(s)
Didymin (CHEBI:176179) is a flavonoids (CHEBI:72544)
Didymin (CHEBI:176179) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Synonym  Source
Isosakuranetin-7-O-rutinosideChEBI
Manual XrefsDatabases
16498764ChemSpider
Registry NumbersSources
CAS:14259-47-3ChemIDplus