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CHEBI:218796 - Cylindrocyclophane F

ChEBI IDCHEBI:218796
ChEBI NameCylindrocyclophane F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O4
Net Charge0
Average Mass552.840
Monoisotopic Mass552.41786
SMILESCCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)Cc2cc(O)c1c(O)c2
InChIInChI=1S/C36H56O4/c1-5-7-15-29-17-11-9-13-25(3)20-28-23-33(39)36(34(40)24-28)30(16-8-6-2)18-12-10-14-26(4)19-27-21-31(37)35(29)32(38)22-27/h21-26,29-30,37-40H,5-20H2,1-4H3/t25-,26-,29-,30-/m0/s1
InChIKeyAAGAYZNADYXWIQ-ATACATFBSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum licheniforme (ncbitaxon:184932) - DOI (10.1016/s0040-4020(01)92244-6)
ChEBI Ontology
Outgoing Relation(s)
Cylindrocyclophane F (CHEBI:218796) is a phenols (CHEBI:33853)
IUPAC Name 
(3S,8S,14S,19S)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
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