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CHEBI:138855 - 7-Benzylidenenaltrexone

ChEBI IDCHEBI:138855
ChEBI Name7-Benzylidenenaltrexone
Stars
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H27NO4
Net Charge0
Average Mass429.516
Monoisotopic Mass429.19401
SMILESO=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIInChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
InChIKeyWXOUFNFMPVMGFZ-BDQAUFNLSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
7-Benzylidenenaltrexone (CHEBI:138855) is a phenanthrenes (CHEBI:25961)
Synonym  Source
BNTXKEGG COMPOUND
Manual XrefsDatabases
C20167KEGG COMPOUND