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CHEBI:66720 - Paeonin B

ChEBI IDCHEBI:66720
ChEBI NamePaeonin B
Stars
DefinitionA natural product found in Paeonia emodi.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H28O11
Net Charge0
Average Mass480.466
Monoisotopic Mass480.16316
SMILES[H][C@@]1(O[C@]23C[C@]4([H])[C@@]2(COC(=O)c2ccccc2)[C@]2([H])O[C@]4(O)C[C@]3(C)O2)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14+,15+,16-,18+,19+,20+,21+,22-,23+/m1/s1
InChIKeyYKRGDOXKVOZESV-COKHGNMNSA-N
Species of MetaboliteComponentSourceComments
Paeonia emodi (ncbitaxon:40708) root (BTO:0001188) PubMed (12612406)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Paeonin B (CHEBI:66720) has role metabolite (CHEBI:25212)
Paeonin B (CHEBI:66720) is a terpene glycoside (CHEBI:61777)
Citations