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CHEBI:69583 - Benzoylpaeoniflorin

ChEBI IDCHEBI:69583
ChEBI NameBenzoylpaeoniflorin
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H32O12
Net Charge0
Average Mass584.574
Monoisotopic Mass584.18938
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](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyLATYEZNGPQKAIK-HRCYFWENSA-N
Species of MetaboliteComponentSourceComments
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
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)
Benzoylpaeoniflorin (CHEBI:69583) has role metabolite (CHEBI:25212)
Benzoylpaeoniflorin (CHEBI:69583) is a terpene glycoside (CHEBI:61777)
Citations