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CHEBI:215625 - Carbamidocylindrofridin A

ChEBI IDCHEBI:215625
ChEBI NameCarbamidocylindrofridin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H55Cl5N2O8
Net Charge0
Average Mass845.129
Monoisotopic Mass842.24011
SMILESC[C@@H](CCCCC(Cl)CCCC(Cl)Cl)[C@@H](OC(N)=O)c1cc(O)c(C(CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)cc(O)c2)CCCC(Cl)Cl)c(O)c1
InChIInChI=1S/C38H55Cl5N2O8/c1-22(35(52-37(44)50)25-17-28(46)21-29(47)18-25)9-3-5-11-24(12-7-15-32(40)41)34-30(48)19-26(20-31(34)49)36(53-38(45)51)23(2)10-4-6-13-27(39)14-8-16-33(42)43/h17-24,27,32-33,35-36,46-49H,3-16H2,1-2H3,(H2,44,50)(H2,45,51)/t22-,23-,24?,27?,35+,36+/m0/s1
InChIKeyNKBHZMFKBIRIAA-LJBJXKIKSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum stagnale BEA 0605B (ncbitaxon:2712154) - PubMed (33032099)
ChEBI Ontology
Outgoing Relation(s)
Carbamidocylindrofridin A (CHEBI:215625) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S)-7-[4-[(1R,2S)-1-carbamoyloxy-7,11,11-trichloro-2-methylundecyl]-2,6-dihydroxyphenyl]-11,11-dichloro-1-(3,5-dihydroxyphenyl)-2-methylundecyl] carbamate