CHEBI:187105 - Remerin

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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 Remerin
ChEBI ID CHEBI:187105
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H17NO2
Net Charge 0
Average Mass 279.339
Monoisotopic Mass 279.12593
InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
InChIKey JCTYWRARKVGOBK-CQSZACIVSA-N
SMILES O1C=2C3=C4[C@](N(CCC4=CC2OC1)C)(CC=5C3=CC=CC5)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Remerin (CHEBI:187105) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name
(12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Manual Xref Database
106490 ChemSpider
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Registry Number Type Source
548-08-3 CAS Registry Number ChemIDplus