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CHEBI:218808 - Cylindrocyclophane C

ChEBI IDCHEBI:218808
ChEBI NameCylindrocyclophane C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O5
Net Charge0
Average Mass568.839
Monoisotopic Mass568.41277
SMILESCCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2
InChIInChI=1S/C36H56O5/c1-5-7-15-27-18-12-10-14-25(4)36(41)29-22-32(39)35(33(40)23-29)28(16-8-6-2)17-11-9-13-24(3)19-26-20-30(37)34(27)31(38)21-26/h20-25,27-28,36-41H,5-19H2,1-4H3/t24-,25-,27-,28-,36+/m0/s1
InChIKeyMKFOXUCAURYWKB-QAKYITFQSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum licheniforme (ncbitaxon:184932) - DOI (10.1016/s0040-4020(01)92244-6)
ChEBI Ontology
Outgoing Relation(s)
Cylindrocyclophane C (CHEBI:218808) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3S,8S,14S,19S)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,21,24,26-pentol
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25055357ChemSpider