CHEBI:132817 - paeoniflorin sulfonate

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ChEBI Name paeoniflorin sulfonate
Definition A monoterpene glycoside with formula C23H28O14S, originally isolated from the roots of Paeonia lactiflora.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C23H28O14S
Net Charge 0
Average Mass 560.527
Monoisotopic Mass 560.11998
InChI InChI=1S/C23H28O14S/c1-20-9-22(37-38(29,30)31)13-7-23(20,34-18-16(27)15(26)14(25)12(8-24)33-18)21(13,19(35-20)36-22)10-32-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27H,7-10H2,1H3,(H,29,30,31)/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22+,23+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@]23[C@]4([C@@](C2)([C@@]5(O[C@]4(O[C@]3(C5)C)[H])OS(O)(=O)=O)[H])COC(C6=CC=CC=C6)=O
Metabolite of Species Details
Paeonia lactiflora (NCBI:txid35924) Found in root (BTO:0001188). 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 paeoniflorin sulfonate (CHEBI:132817) has functional parent paeoniflorin (CHEBI:7889)
paeoniflorin sulfonate (CHEBI:132817) has role plant metabolite (CHEBI:76924)
paeoniflorin sulfonate (CHEBI:132817) is a β-D-glucoside (CHEBI:22798)
paeoniflorin sulfonate (CHEBI:132817) is a benzoate ester (CHEBI:36054)
paeoniflorin sulfonate (CHEBI:132817) is a bridged compound (CHEBI:35990)
paeoniflorin sulfonate (CHEBI:132817) is a cyclic acetal (CHEBI:59770)
paeoniflorin sulfonate (CHEBI:132817) is a monoterpene glycoside (CHEBI:72293)
[(1aR,2S,3aR,5S,5aR,5bS)-1a-(β-D-glucopyranosyloxy)-2-methyl-5-(sulfooxy)tetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl benzoate
Manual Xref Database
101382399 PubChem
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Citations Waiting for Citations Types Sources
17087079 PubMed citation Europe PMC
19097720 PubMed citation Europe PMC
21782011 PubMed citation Europe PMC
22209957 PubMed citation Europe PMC
22799031 PubMed citation Europe PMC
22836213 PubMed citation Europe PMC
23738461 PubMed citation Europe PMC
25011060 PubMed citation Europe PMC
25911811 PubMed citation Europe PMC
26323145 PubMed citation Europe PMC
Last Modified
20 January 2017