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CHEBI:206898 - Carbamidocyclophane A

ChEBI IDCHEBI:206898
ChEBI NameCarbamidocyclophane A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54Cl4N2O8
Net Charge0
Average Mass808.668
Monoisotopic Mass806.26343
SMILESC[C@H]1CCCCC(CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCCC(CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O
InChIInChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
InChIKeyKQQDTKLGLAIGOF-TXPPAELQSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (17311455)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane A (CHEBI:206898) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,13R,14S)-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] carbamate
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17343539ChemSpider