Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22N2O9 |
| Molecular Weight | 446.4074 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(=O)N1C2=CC=CC=C2C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=CC=CC=C14
InChI
InChIKey=FXFZXWAWJLOACO-NDBHTADSSA-N
InChI=1S/C21H22N2O9/c22-21(30)23-11-7-3-1-5-9(11)13(24)17(10-6-2-4-8-12(10)23)31-20-16(27)14(25)15(26)18(32-20)19(28)29/h1-8,13-18,20,24-27H,(H2,22,30)(H,28,29)/t13?,14-,15-,16+,17?,18-,20+/m0/s1
| Molecular Formula | C21H22N2O9 |
| Molecular Weight | 446.4074 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 13:46:58 GMT 2025
by
admin
on
Wed Apr 02 13:46:58 GMT 2025
|
| Record UNII |
XNH9NA6S49
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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102068981
Created by
admin on Wed Apr 02 13:46:58 GMT 2025 , Edited by admin on Wed Apr 02 13:46:58 GMT 2025
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PRIMARY | |||
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XNH9NA6S49
Created by
admin on Wed Apr 02 13:46:58 GMT 2025 , Edited by admin on Wed Apr 02 13:46:58 GMT 2025
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68011-72-3
Created by
admin on Wed Apr 02 13:46:58 GMT 2025 , Edited by admin on Wed Apr 02 13:46:58 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
URINE
|
