CHEBI:67807 - chimarrhinin, (rel)-

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ChEBI Name chimarrhinin, (rel)-
ChEBI ID CHEBI:67807
Definition A natural product found in Chimarrhis turbinata.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H28O12
Net Charge 0
Average Mass 568.52540
Monoisotopic Mass 568.15808
InChI InChI=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
InChIKey HBIPDNZXAWNFRY-VEKNWUCMSA-N
SMILES [H][C@]1(OC[C@H](O)[C@H]1OC(=O)c1cc(O)cc(O)c1)[C@]1(CC[C@H](Cc2ccc(O)c(O)c2)C(=O)O1)c1ccc(O)c(O)c1
Metabolite of Species Details
Chimarrhis turbinata (NCBI:txid128292) Found in leaf (BTO:0000713). Ethanolic extract of dried and powdered leaves 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 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-dihydroxybenzoate ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxybenzoic acid(CHEBI:24676); ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:catechols(CHEBI:33566); ISA:carbonyl compound(CHEBI:36586); ISA:resorcinols(CHEBI:33572); ISA:delta-lactone(CHEBI:18946); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);