CHEBI:103056 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[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,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
ChEBI ID CHEBI:103056
Stars This entity has been manually annotated by a third party.
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Formula C20H28N2O4
Net Charge 0
Average Mass 360.448
Monoisotopic Mass 360.20491
InChI InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18-,19+/m1/s1
InChIKey MNYFKSZVIZZWBR-MKXGPGLRSA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)N3CCC4=CC=CC=C4C3
ChEBI Ontology
Outgoing 2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:103056) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-14402 LINCS
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