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CHEBI:199789 - Carbamidocyclophane G

ChEBI IDCHEBI:199789
ChEBI NameCarbamidocyclophane G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H55Cl4NO8
Net Charge0
Average Mass807.680
Monoisotopic Mass805.26818
SMILESCC(=O)O[C@H]1c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@@H]1C
InChIInChI=1S/C39H55Cl4NO8/c1-22-10-4-6-12-26(15-9-17-34(42)43)36-31(48)20-28(21-32(36)49)38(52-39(44)50)23(2)11-5-7-13-25(14-8-16-33(40)41)35-29(46)18-27(19-30(35)47)37(22)51-24(3)45/h18-23,25-26,33-34,37-38,46-49H,4-17H2,1-3H3,(H2,44,50)/t22-,23-,25+,26+,37+,38+/m0/s1
InChIKeyXLIYEZKUQXAJCM-RUIQVDENSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies UIC 10274 (ncbitaxon:1220497) - PubMed (25225453)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane G (CHEBI:199789) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8R,13R,14S,19R)-13-carbamoyloxy-8,19-bis(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
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78436540ChemSpider