CHEBI:8222 - pinocembrin 7-rhamnosylglucoside

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ChEBI Name pinocembrin 7-rhamnosylglucoside
ChEBI ID CHEBI:8222
Definition A flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H32O13
Net Charge 0
Average Mass 564.53520
Monoisotopic Mass 564.18429
InChI InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey UVPBNPUZWAOBQX-AFUJZTQMSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Litchi chinensis (NCBI:txid151069) Found in seed (BTO:0001226). See: PubMed
Sparattosperma leucanthum (NCBI:txid429671) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing pinocembrin 7-rhamnosylglucoside (CHEBI:8222) has functional parent pinocembrin (CHEBI:28157)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) has role plant metabolite (CHEBI:76924)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a (2S)-flavan-4-one (CHEBI:140377)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a disaccharide derivative (CHEBI:63353)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a flavanone glycoside (CHEBI:72730)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a monohydroxyflavanone (CHEBI:38748)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a neohesperidoside (CHEBI:25495)
IUPAC Name
(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym Source
Pinocembrin 7-O-neohesperidoside KNApSAcK
Manual Xrefs Databases
C00000993 KNApSAcK
C09828 KEGG COMPOUND
LMPK12140136 LIPID MAPS
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Registry Numbers Types Sources
13241-31-1 CAS Registry Number KEGG COMPOUND
73145 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21287989 PubMed citation Europe PMC
21831384 PubMed citation Europe PMC
Last Modified
09 April 2018