Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H22N2O5 |
| Molecular Weight | 394.4205 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC([C@H](OC1=NC(CO)=CC(C)=N1)C(O)=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=PDUAYPFMBRYSNN-LJQANCHMSA-N
InChI=1S/C22H22N2O5/c1-15-13-18(14-25)24-21(23-15)29-19(20(26)27)22(28-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19,25H,14H2,1-2H3,(H,26,27)/t19-/m1/s1
| Molecular Formula | C22H22N2O5 |
| Molecular Weight | 394.4205 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:05:26 GMT 2025
by
admin
on
Mon Mar 31 23:05:26 GMT 2025
|
| Record UNII |
Q55T0406HK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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1106685-66-8
Created by
admin on Mon Mar 31 23:05:26 GMT 2025 , Edited by admin on Mon Mar 31 23:05:26 GMT 2025
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25183815
Created by
admin on Mon Mar 31 23:05:26 GMT 2025 , Edited by admin on Mon Mar 31 23:05:26 GMT 2025
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Q55T0406HK
Created by
admin on Mon Mar 31 23:05:26 GMT 2025 , Edited by admin on Mon Mar 31 23:05:26 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE -> PARENT |
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