CHEBI:176179 - Didymin

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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 Didymin
ChEBI ID CHEBI:176179
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H34O14
Net Charge 0
Average Mass 594.566
Monoisotopic Mass 594.19486
InChI InChI=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
InChIKey RMCRQBAILCLJGU-HIBKWJPLSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
ChEBI Ontology
Outgoing 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-rutinoside ChEBI
Manual Xref Database
16498764 ChemSpider
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Registry Number Type Source
14259-47-3 CAS Registry Number ChemIDplus
Last Modified
06 August 2023