CHEBI:125923 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
ChEBI ID CHEBI:125923
Stars This entity has been manually annotated by a third party.
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Formula C28H36N2O5
Net Charge 0
Average Mass 480.597
Monoisotopic Mass 480.26242
InChI InChI=1S/C28H36N2O5/c1-33-24-8-6-20(7-9-24)15-30-17-23(31)18-34-19-27-26(30)11-10-25(35-27)14-28(32)29-13-12-21-4-2-3-5-22(21)16-29/h2-9,23,25-27,31H,10-19H2,1H3/t23-,25+,26+,27-/m1/s1
InChIKey MWUVOMKQDMDDFC-GYUKIKGESA-N
SMILES COC1=CC=C(C=C1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O
ChEBI Ontology
Outgoing 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:125923) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-37490 LINCS
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