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CHEBI:200104 - Roseophilin

ChEBI IDCHEBI:200104
ChEBI NameRoseophilin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33ClN2O2
Net Charge0
Average Mass453.026
Monoisotopic Mass452.22306
SMILESCOc1cc(-c2nccc2Cl)oc1C1=C2N=C3C=C2[C@H](C(C)C)[C@H]1CCCCCCCC3
InChIInChI=1S/C27H33ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h12-16,18,23,29H,4-11H2,1-3H3/t18-,23-/m1/s1
InChIKeyAKRWVQHAEBBOTI-WZONZLPQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)79061-7)
ChEBI Ontology
Outgoing Relation(s)
Roseophilin (CHEBI:200104) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(12R,13R)-15-[5-(3-chloro-1H-pyrrol-2-yl)-3-methoxyuran-2-yl]-13-propan-2-yl-2-azatricyclo[10.2.1.13,14]hexadeca-1(15),2,14(16)-triene
Manual XrefsDatabases
27289084ChemSpider