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CHEBI:179457 - Isomurrayazoline

ChEBI IDCHEBI:179457
ChEBI NameIsomurrayazoline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO
Net Charge0
Average Mass331.459
Monoisotopic Mass331.19361
SMILESCc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)C1CCC(C)(CC41)O3
InChIInChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3
InChIKeySCQKOFCBSCEEQG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomurrayazoline (CHEBI:179457) is a phenanthridines (CHEBI:51245)
IUPAC Name 
8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaene
Manual XrefsDatabases
HMDB0030262HMDB
35013168ChemSpider