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CHEBI:66798 - Pyrolaside B

ChEBI IDCHEBI:66798
ChEBI NamePyrolaside B
Stars
DefinitionA natural product found in Pyrola rotundifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H50O21
Net Charge0
Average Mass854.808
Monoisotopic Mass854.28446
SMILESCc1cc(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
WURCSWURCS=2.0/1,3,1/[a2122h-1b_1-5]/1-1-1/a1n1-b1n2-c1n3*1O(CCCCCC$3/7)C(/6)O(/5)O(CCCCCCCC$14/13CCCC$12/23)C(/21)O*3(/18)O*2(/16)C(/15)O
InChIInChI=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
InChIKeyRASVJEQOJWZGLV-BFXGSULESA-N
Species of MetaboliteComponentSourceComments
Pyrola rotundifolia (ncbitaxon:13651) whole plant (BTO:0001461) PubMed (16079548)
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)
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
Citations