CHEBI:132790 - α-benzoyloxypaeoniflorin

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ChEBI Name α-benzoyloxypaeoniflorin
ChEBI ID CHEBI:132790
ChEBI ASCII Name alpha-benzoyloxypaeoniflorin
Definition A monoterpene glycoside with formula C30H32O13, originally isolated from Paeonia suffruticosa.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H32O13
Net Charge 0
Average Mass 600.568
Monoisotopic Mass 600.18429
InChI InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25-,26-,27+,28+,29-,30+/m1/s1
InChIKey VIWQCBZFJFSCLC-PEROMJSHSA-N
SMILES [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(C=2C=CC=CC2)=O)O)O)O)O[C@@]34[C@]5([C@@](C3)([C@@]6(O[C@]5(O[C@]4(C6)C)[H])O)[H])COC(C7=CC=C(C=C7)O)=O
Metabolite of Species Details
Paeonia suffruticosa (NCBI:txid45171) See: PubMed
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-benzoyloxypaeoniflorin (CHEBI:132790) has role plant metabolite (CHEBI:76924)
α-benzoyloxypaeoniflorin (CHEBI:132790) has role radical scavenger (CHEBI:48578)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a α-D-glucoside (CHEBI:22390)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a 4-hydroxybenzoate ester (CHEBI:79323)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a O-acyl carbohydrate (CHEBI:52782)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a bridged compound (CHEBI:35990)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a cyclic acetal (CHEBI:59770)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a lactol (CHEBI:38131)
α-benzoyloxypaeoniflorin (CHEBI:132790) is a monoterpene glycoside (CHEBI:72293)
IUPAC Name
[(1aR,2S,3aR,5R,5aR,5bS)-1a-[(6-O-benzoyl-α-D-glucopyranosyl)oxy]-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl 4-hydroxybenzoate
Synonyms Sources
α-6'-benzoyloxypaeoniflorin ChEBI
α-oxypaeoniflorin 6'-benzoate ChEBI
benzoyloxypaeoniflorin ChEBI
Citation Waiting for Citations Type Source
11339628 PubMed citation Europe PMC
Last Modified
17 January 2017