EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210206 - Nostocyclophane D

ChEBI IDCHEBI:210206
ChEBI NameNostocyclophane D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54Cl2O6
Net Charge0
Average Mass653.728
Monoisotopic Mass652.32974
SMILESCCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2
InChIInChI=1S/C36H54Cl2O6/c1-5-7-11-23-13-9-15-27(37)21-34(44-4)26-19-31(41)36(32(42)20-26)24(12-8-6-2)14-10-16-28(38)22-33(43-3)25-17-29(39)35(23)30(40)18-25/h17-20,23-24,27-28,33-34,39-42H,5-16,21-22H2,1-4H3/t23-,24-,27+,28+,33+,34+/m0/s1
InChIKeyFYBKUFIZQMYJHP-QENHJSLFSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermum (ncbitaxon:56106) - DOI (10.1021/ja00166a066)
ChEBI Ontology
Outgoing Relation(s)
Nostocyclophane D (CHEBI:210206) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,4R,8S,13R,15R,19S)-8,19-dibutyl-4,15-dichloro-2,13-dimethoxytricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
Manual XrefsDatabases
4590589ChemSpider