CHEBI:179854 - Carthamidin 5-glucoside

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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 Carthamidin 5-glucoside
ChEBI ID CHEBI:179854
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/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12?,14-,17-,18-,19-,21+/m1/s1
InChIKey UBFTZAGDGOMJQE-KNHQCOLFSA-N
SMILES O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC=C(O)C=C4)C=C(O)C2O)CO
ChEBI Ontology
Outgoing Carthamidin 5-glucoside (CHEBI:179854) is a flavonoids (CHEBI:72544)
Carthamidin 5-glucoside (CHEBI:179854) is a glycoside (CHEBI:24400)
IUPAC Name
6,7-dihydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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