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CHEBI:218484 - Ribocyclophane A

ChEBI IDCHEBI:218484
ChEBI NameRibocyclophane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H72O14
Net Charge0
Average Mass849.068
Monoisotopic Mass848.49221
SMILESCCCC[C@H]1CCCC[C@H](C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c2cc(O)c1c(O)c2
InChIInChI=1S/C46H72O14/c1-5-7-15-27-17-11-9-13-25(3)44(60-46-42(56)40(54)36(52)24-58-46)30-21-33(49)38(34(50)22-30)28(16-8-6-2)18-12-10-14-26(4)43(29-19-31(47)37(27)32(48)20-29)59-45-41(55)39(53)35(51)23-57-45/h19-22,25-28,35-36,39-56H,5-18,23-24H2,1-4H3/t25-,26-,27-,28-,35+,36+,39+,40+,41+,42+,43+,44+,45-,46-/m0/s1
InChIKeyJKEVYZYKIRFEPT-IYGPRKNSSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (29381355)
ChEBI Ontology
Outgoing Relation(s)
Ribocyclophane A (CHEBI:218484) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-3,14-dimethyl-2,13-bis[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
Manual XrefsDatabases
78442803ChemSpider