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CHEBI:225737 - Carbamidocyclophane D

ChEBI IDCHEBI:225737
ChEBI NameCarbamidocyclophane D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H57ClN2O8
Net Charge0
Average Mass705.333
Monoisotopic Mass704.38034
SMILESCCCCC1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)C(CCCCCl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
InChIInChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1
InChIKeyYSZWKXRRCFZDNI-MJVHAFATSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (17311455)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocyclophane D (CHEBI:225737) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,13R,14S)-8-butyl-13-carbamoyloxy-19-(4-chlorobutyl)-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
17214518ChemSpider