CHEBI:185701 - Isoliensinine

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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 Isoliensinine
ChEBI ID CHEBI:185701
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H42N2O6
Net Charge 0
Average Mass 610.751
Monoisotopic Mass 610.30429
InChI InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(44-5)37(22-29(26)30(38)16-23-6-9-27(42-3)10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(43-4)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey AJPXZTKPPINUKN-FIRIVFDPSA-N
SMILES O(C=1C=C2[C@H](N(CCC2=CC1OC)C)CC3=CC=C(OC)C=C3)C=4C=C(C[C@H]5N(CCC=6C5=CC(O)=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 Isoliensinine (CHEBI:185701) is a isoquinolines (CHEBI:24922)
IUPAC Name
(1R)-1-[[4-hydroxy-3-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Manual Xref Database
4438880 ChemSpider
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Registry Number Type Source
6817-41-0 CAS Registry Number ChemIDplus