CHEBI:179855 - Isookaninglucoside

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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 Isookaninglucoside
ChEBI ID CHEBI:179855
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H22O11
Net Charge 0
Average Mass 450.396
Monoisotopic Mass 450.11621
InChI InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2
InChIKey DGGOLFCPSUVVHX-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(O)C=3OC(CC(=O)C3C=C2)C4=CC(O)=C(O)C=C4)CO
ChEBI Ontology
Outgoing Isookaninglucoside (CHEBI:179855) is a flavonoids (CHEBI:72544)
Isookaninglucoside (CHEBI:179855) is a glycoside (CHEBI:24400)
IUPAC Name
2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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