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CHEBI:221079 - Carbamidocyclophane E

ChEBI IDCHEBI:221079
ChEBI NameCarbamidocyclophane E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58N2O8
Net Charge0
Average Mass670.888
Monoisotopic Mass670.41932
SMILESCCCCC1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)C(CCCC)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
InChIInChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
InChIKeyMMNOSSIKVRRNRZ-MJVHAFATSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (17311455)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane E (CHEBI:221079) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,13R,14S)-8,19-dibutyl-13-carbamoyloxy-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
Manual XrefsDatabases
17214519ChemSpider