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CHEBI:166628 - Icaritin 3-rhamnoside

ChEBI IDCHEBI:166628
ChEBI NameIcaritin 3-rhamnoside
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SubmitterMetaboLights
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FormulaC27H32O11
Net Charge0
Average Mass532.542
Monoisotopic Mass532.19446
SMILESCOc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
InChIInChI=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
InChIKeyMDKYYFBRCUVEAN-YXGZRXAKSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
24844745ChemSpider
LMPK12112018LIPID MAPS