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CHEBI:218820 - Cylindrocyclophane E

ChEBI IDCHEBI:218820
ChEBI NameCylindrocyclophane E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O6
Net Charge0
Average Mass610.876
Monoisotopic Mass610.42334
SMILESCCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)c1c(O)c2
InChIInChI=1S/C38H58O6/c1-6-8-16-29-19-13-11-15-26(4)38(44-27(5)39)31-23-34(42)37(35(43)24-31)30(17-9-7-2)18-12-10-14-25(3)20-28-21-32(40)36(29)33(41)22-28/h21-26,29-30,38,40-43H,6-20H2,1-5H3/t25-,26-,29-,30-,38+/m0/s1
InChIKeyFVCCCELSDGJJMK-QYBUPKPRSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum licheniforme (ncbitaxon:184932) - DOI (10.1016/s0040-4020(01)92244-6)
ChEBI Ontology
Outgoing Relation(s)
Cylindrocyclophane E (CHEBI:218820) is a phenols (CHEBI:33853)
IUPAC Name 
[(2R,3S,8S,14S,19S)-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate