CHEBI:186021 - Liensinine

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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 Liensinine
ChEBI ID CHEBI:186021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H42N2O6
Net Charge 0
Average Mass 610.751
Monoisotopic Mass 610.30429
InChI InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey XCUCMLUTCAKSOZ-FIRIVFDPSA-N
SMILES O(C=1C=C2[C@H](N(CCC2=CC1OC)C)CC3=CC=C(O)C=C3)C=4C=C(C[C@H]5N(CCC=6C5=CC(OC)=C(OC)C6)C)C=CC4O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Liensinine (CHEBI:186021) is a isoquinolines (CHEBI:24922)
IUPAC Name
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
Manual Xref Database
141157 ChemSpider
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Registry Number Type Source
2586-96-1 CAS Registry Number ChemIDplus