CHEBI:200104 - Roseophilin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Roseophilin
ChEBI ID CHEBI:200104
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33ClN2O2
Net Charge 0
Average Mass 453.020
Monoisotopic Mass 452.22306
InChI InChI=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
InChIKey AKRWVQHAEBBOTI-WZONZLPQSA-N
SMILES ClC1=C(NC=C1)C=2OC(C3=C4N=C5CCCCCCCC[C@@H]3[C@@H](C(C)C)C4=C5)=C(C2)OC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
27289084 ChemSpider
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