CHEBI:66719 - Paeonin A

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ChEBI Name Paeonin A
ChEBI ID CHEBI:66719
Definition A natural product found in Paeonia emodi.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H32O12
Net Charge 0
Average Mass 584.56790
Monoisotopic Mass 584.18938
InChI InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20+,21+,22-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey LATYEZNGPQKAIK-XUTSOIJVSA-N
SMILES [H][C@]1(O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O)O[C@@]12C[C@@]3([H])[C@@]4(O)C[C@]1(C)O[C@@]([H])(O4)[C@@]23COC(=O)c1ccccc1
Metabolite of Species Details
Paeonia emodi (NCBI:txid40708) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Paeonin A (CHEBI:66719) has role metabolite (CHEBI:25212)
Paeonin A (CHEBI:66719) is a terpene glycoside (CHEBI:61777)
Citation Waiting for Citations Type Source
12612406 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:glycoside(CHEBI:24400); ISA:monoterpenoid(CHEBI:25409); ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:furofuran(CHEBI:47790); ISA:oxacycle(CHEBI:38104); ISA:monosaccharide(CHEBI:35381); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:dioxanes(CHEBI:46926); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:hemiacetal(CHEBI:5653); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352);