Concept information
Preferred term
1 [(1R,3R,4aR,9aS) 3 [2 (3,4 dihydro 1H isoquinolin 2 yl) 2 oxoethyl] 1 (hydroxymethyl) 3,4,4a,9a tetrahydro 1H pyrano[3,4 b]benzofuran 6 yloxayureth] 3 (4)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C31H33N3O6
inchi
- InChI=1S/C31H33N3O6/c1-38-23-9-6-21(7-10-23)32-31(37)33-22-8-11-27-25(14-22)26-15-24(39-28(18-35)30(26)40-27)16-29(36)34-13-12-19-4-2-3-5-20(19)17-34/h2-11,14,24,26,28,30,35H,12-13,15-18H2,1H3,(H2,32,33,37)/t24-,26-,28-,30+/m1/s1
inchikey
- XMRNAPLDHHXMNZ-UPQWRWMQSA-N
mass
- 543.611
monoisotopicmass
- 543.23694
smiles
- COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:122829
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