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CHEBI:227058 - Cylindrofridin C

ChEBI IDCHEBI:227058
ChEBI NameCylindrofridin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H61ClO8
Net Charge0
Average Mass705.373
Monoisotopic Mass704.40550
SMILESCCCCC(Cl)CCCC[C@H](C)[C@@H](OC(C)=O)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/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
InChIKeyGTRRNAAYKNENPF-ZQUJOIDOSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum stagnale PCC 7417 (ncbitaxon:56107) - PubMed (26684177)
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)
Cylindrofridin C (CHEBI:227058) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
[(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
Manual XrefsDatabases
58915007ChemSpider