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CHEBI:211903 - Carbamidocyclophane R

ChEBI IDCHEBI:211903
ChEBI NameCarbamidocyclophane R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56BrNO7
Net Charge0
Average Mass706.759
Monoisotopic Mass705.32402
SMILESCCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCCBr)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
InChIInChI=1S/C37H56BrNO7/c1-4-5-14-25-15-8-6-12-23(2)35(44)27-19-29(40)34(30(41)20-27)26(17-10-11-18-38)16-9-7-13-24(3)36(46-37(39)45)28-21-31(42)33(25)32(43)22-28/h19-26,35-36,40-44H,4-18H2,1-3H3,(H2,39,45)/t23-,24-,25-,26+,35+,36+/m0/s1
InChIKeyABRCNJSDUYUPRX-YXTQZPCGSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (26805858)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane R (CHEBI:211903) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8R,13R,14S,19S)-8-(4-bromobutyl)-19-butyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate
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78439218ChemSpider