CHEBI:69583 - Benzoylpaeoniflorin

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ChEBI Name Benzoylpaeoniflorin
ChEBI ID CHEBI:69583
Definition A natural product found in Paeonia rockii subspeciesrockii.
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-HRCYFWENSA-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 rockii subsp. rockii (NCBI:txid459179) Found in root (BTO:0001188). Isolated from chloroform soluble extract of air-dried and powdered roots 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 Benzoylpaeoniflorin (CHEBI:69583) has role metabolite (CHEBI:25212)
Benzoylpaeoniflorin (CHEBI:69583) is a terpene glycoside (CHEBI:61777)
Citation Waiting for Citations Type Source
21954959 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);