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CHEBI:225206 - Cylindrocyclophane F4

ChEBI IDCHEBI:225206
ChEBI NameCylindrocyclophane F4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52Cl4O4
Net Charge0
Average Mass690.620
Monoisotopic Mass688.26197
SMILESC[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1
InChIInChI=1S/C36H52Cl4O4/c1-23-9-3-5-11-27(13-7-15-33(37)38)36-31(43)21-26(22-32(36)44)18-24(2)10-4-6-12-28(14-8-16-34(39)40)35-29(41)19-25(17-23)20-30(35)42/h19-24,27-28,33-34,41-44H,3-18H2,1-2H3/t23-,24-,27+,28+/m0/s1
InChIKeyQZEVGBIFKZJWPF-KBJUPQRZSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (20825206)
ChEBI Ontology
Outgoing Relation(s)
Cylindrocyclophane F4 (CHEBI:225206) is a phenols (CHEBI:33853)
IUPAC Name 
(3S,8R,14S,19R)-8,19-bis(4,4-dichlorobutyl)-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
Manual XrefsDatabases
25028415ChemSpider