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CHEBI:227053 - Cylindrofridin B

ChEBI IDCHEBI:227053
ChEBI NameCylindrofridin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59ClO7
Net Charge0
Average Mass663.336
Monoisotopic Mass662.39493
SMILESCCCCC(Cl)CCCC[C@H](C)[C@@H](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/C38H59ClO7/c1-6-8-16-28(17-12-10-15-26(4)38(46-27(5)40)30-20-32(41)24-33(42)21-30)36-34(43)22-29(23-35(36)44)37(45)25(3)14-11-13-19-31(39)18-9-7-2/h20-26,28,31,37-38,41-45H,6-19H2,1-5H3/t25-,26-,28-,31?,37+,38+/m0/s1
InChIKeyOALOPYYRKWCJGW-KIWBYYFGSA-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 B (CHEBI:227053) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
[(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-1-hydroxy-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
Manual XrefsDatabases
58915006ChemSpider