CHEBI:218459 - Ribocyclophane E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ribocyclophane E
ChEBI ID CHEBI:218459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000064512333
Download Molfile XML SDF
Formula C43H67ClO11
Net Charge 0
Average Mass 795.450
Monoisotopic Mass 794.43719
InChI InChI=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
InChIKey SOQDHIOFRVNKJC-RIVOPLGOSA-N
SMILES ClC(CCCC[C@@H]([C@@H](O[C@@H]1OC[C@@H](O)[C@H]([C@H]1O)O)C2=CC(O)=C([C@H](CCCC[C@@H]([C@@H](OC(=O)C)C3=CC(O)=CC(=C3)O)C)CCCC)C(=C2)O)C)CCCC
Metabolite of Species Details
Nostocspecies (NCBI:txid1180) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing 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 Xref Database
78442800 ChemSpider
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