CHEBI:168081 - Limocitrin 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 Limocitrin 3-rhamnoside
ChEBI ID CHEBI:168081
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O12
Net Charge 0
Average Mass 492.433
Monoisotopic Mass 492.12678
InChI InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3/t8?,15-,17?,18-,23-/m0/s1
InChIKey CCEZJODARJJBDK-DQADCKTKSA-N
SMILES O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)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 Limocitrin 3-rhamnoside (CHEBI:168081) is a flavonoids (CHEBI:72544)
Limocitrin 3-rhamnoside (CHEBI:168081) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24845740 ChemSpider
LMPK12113209 LIPID MAPS
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