CHEBI:66798 - Pyrolaside B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pyrolaside B
ChEBI ID CHEBI:66798
Definition A natural product found in Pyrola rotundifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H50O21
Net Charge 0
Average Mass 854.80170
Monoisotopic Mass 854.28446
InChI InChI=1S/C39H50O21/c1-13-4-16(54-37-33(51)30(48)27(45)22(10-40)58-37)7-19(25(13)43)20-8-17(55-38-34(52)31(49)28(46)23(11-41)59-38)6-15(3)36(20)57-21-9-18(5-14(2)26(21)44)56-39-35(53)32(50)29(47)24(12-42)60-39/h4-9,22-24,27-35,37-53H,10-12H2,1-3H3/t22-,23-,24-,27-,28-,29-,30+,31+,32+,33-,34-,35-,37-,38-,39-/m1/s1
InChIKey RASVJEQOJWZGLV-BFXGSULESA-N
SMILES Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(Oc2c(C)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2-c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(C)c2O)c1O
Metabolite of Species Details
Pyrola rotundifolia (NCBI:txid13651) Found in whole plant (BTO:0001461). 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 Pyrolaside B (CHEBI:66798) has role metabolite (CHEBI:25212)
Pyrolaside B (CHEBI:66798) is a oligosaccharide (CHEBI:50699)
Synonym Source
5-5'-Dehydro-[(4-O-5'')-dehydro-di(3-methyl-4-hydroxy-phenyl-1-O-beta-D-glucopyranoside)]-(3-methyl-4-hydroxy-phenyl-1-O-beta-D-glucopyranoside) ChEBI
Citation Waiting for Citations Type Source
16079548 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:biphenyls(CHEBI:22888); ISA:glycoside(CHEBI:24400); ISA:aromatic ether(CHEBI:35618); ISA:benzenetriol(CHEBI:22707); ISA:hydroxytoluene(CHEBI:24751); ISA:toluenes(CHEBI:27024); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854); ISA:organic anion(CHEBI:25696);