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CHEBI:218459 - Ribocyclophane E

ChEBI IDCHEBI:218459
ChEBI NameRibocyclophane E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H67ClO11
Net Charge0
Average Mass795.451
Monoisotopic Mass794.43719
SMILESCCCCC(Cl)CCCC[C@H](C)[C@@H](O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)c1cc(O)c([C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C43H67ClO11/c1-6-8-16-29(17-12-10-14-26(3)41(54-28(5)45)30-20-33(46)24-34(47)21-30)38-35(48)22-31(23-36(38)49)42(55-43-40(52)39(51)37(50)25-53-43)27(4)15-11-13-19-32(44)18-9-7-2/h20-24,26-27,29,32,37,39-43,46-52H,6-19,25H2,1-5H3/t26-,27-,29-,32?,37+,39+,40+,41+,42+,43-/m0/s1
InChIKeySOQDHIOFRVNKJC-RIVOPLGOSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (29381355)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Ribocyclophane E (CHEBI:218459) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
[(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-2-methyl-1-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
Manual XrefsDatabases
78442800ChemSpider