EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67807 - chimarrhinin, (rel)-

ChEBI IDCHEBI:67807
ChEBI Namechimarrhinin, (rel)-
Stars
DefinitionA natural product found in Chimarrhis turbinata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H28O12
Net Charge0
Average Mass568.531
Monoisotopic Mass568.15808
SMILES[H][C@@]1([C@@]2(c3ccc(O)c(O)c3)CC[C@H](Cc3ccc(O)c(O)c3)C(=O)O2)OC[C@H](O)[C@H]1OC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C29H28O12/c30-18-9-16(10-19(31)12-18)27(37)40-25-24(36)13-39-26(25)29(17-2-4-21(33)23(35)11-17)6-5-15(28(38)41-29)7-14-1-3-20(32)22(34)8-14/h1-4,8-12,15,24-26,30-36H,5-7,13H2/t15-,24+,25-,26-,29+/m1/s1
InChIKeyHBIPDNZXAWNFRY-VEKNWUCMSA-N
Species of MetaboliteComponentSourceComments
Chimarrhis turbinata (ncbitaxon:128292) leaf (BTO:0000713) PubMed (21341711) Ethanolic extract of dried and powdered leaves
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)
chimarrhinin, (rel)- (CHEBI:67807) has role metabolite (CHEBI:25212)
chimarrhinin, (rel)- (CHEBI:67807) is a disaccharide (CHEBI:36233)
Synonym  Source
rel-(2R,3R,4S)-2-[(2S,5R)-5-(3,4-Dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)-6-oxotetrahydro-2H-pyran-2-yl]-4-hydroxytetrahydro-3-furanyl 3,5-dihydroxybenzoateChEBI
Citations