CHEBI:166628 - Icaritin 3-rhamnoside

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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 Icaritin 3-rhamnoside
ChEBI ID CHEBI:166628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H32O11
Net Charge 0
Average Mass 532.542
Monoisotopic Mass 532.19446
InChI InChI=1S/C27H32O11/c1-12-19(30)21(32)22(33)26(36-12)38-25-20(31)18-17(29)11-16(28)15(9-10-27(2,3)34)24(18)37-23(25)13-5-7-14(35-4)8-6-13/h5-8,11-12,19,21-22,26,28-30,32-34H,9-10H2,1-4H3/t12?,19-,21?,22-,26-/m0/s1
InChIKey MDKYYFBRCUVEAN-YXGZRXAKSA-N
SMILES O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC3=C(CCC(O)(C)C)C(O)=CC(O)=C3C2=O)C4=CC=C(OC)C=C4)C
ChEBI Ontology
Outgoing Icaritin 3-rhamnoside (CHEBI:166628) is a flavonoids (CHEBI:72544)
Icaritin 3-rhamnoside (CHEBI:166628) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24844745 ChemSpider
LMPK12112018 LIPID MAPS
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