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CHEBI:227064 - Cylindrofridin A

ChEBI IDCHEBI:227064
ChEBI NameCylindrofridin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31ClO4
Net Charge0
Average Mass370.917
Monoisotopic Mass370.19109
SMILESCCCCC(Cl)CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C20H31ClO4/c1-4-5-9-17(21)10-7-6-8-14(2)20(25-15(3)22)16-11-18(23)13-19(24)12-16/h11-14,17,20,23-24H,4-10H2,1-3H3/t14-,17?,20+/m0/s1
InChIKeyMONOMZXDURAAAV-BKCMZVEJSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum stagnale PCC 7417 (ncbitaxon:56107) - PubMed (26684177)
ChEBI Ontology
Outgoing Relation(s)
Cylindrofridin A (CHEBI:227064) has functional parent benzyl alcohol (CHEBI:17987)
Cylindrofridin A (CHEBI:227064) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1R,2S)-7-chloro-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
Manual XrefsDatabases
58913199ChemSpider