CHEBI:168223 - Rhamnocitrin 3-(6''-acetylglucoside)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Rhamnocitrin 3-(6''-acetylglucoside)
ChEBI ID CHEBI:168223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24O12
Net Charge 0
Average Mass 504.444
Monoisotopic Mass 504.12678
InChI InChI=1S/C24H24O12/c1-10(25)33-9-16-18(28)20(30)21(31)24(35-16)36-23-19(29)17-14(27)7-13(32-2)8-15(17)34-22(23)11-3-5-12(26)6-4-11/h3-8,16,18,20-21,24,26-28,30-31H,9H2,1-2H3/t16?,18-,20?,21?,24-/m0/s1
InChIKey DDGCBCUITQFEFG-GUWAMKFBSA-N
SMILES O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(O)C=C4)COC(=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Rhamnocitrin 3-(6''-acetylglucoside) (CHEBI:168223) is a flavonoids (CHEBI:72544)
Rhamnocitrin 3-(6''-acetylglucoside) (CHEBI:168223) is a glycoside (CHEBI:24400)
IUPAC Name
[(3R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24845241 ChemSpider
LMPK12112568 LIPID MAPS
View more database links