Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22N2O7S |
| Molecular Weight | 446.474 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(O)C=CC(=C1)[C@@H](CS(C)(=O)=O)N2C(=O)C3=CC=CC(NC(C)=O)=C3C2=O
InChI
InChIKey=PEUJABWEZWJNBO-MRXNPFEDSA-N
InChI=1S/C21H22N2O7S/c1-4-30-18-10-13(8-9-17(18)25)16(11-31(3,28)29)23-20(26)14-6-5-7-15(22-12(2)24)19(14)21(23)27/h5-10,16,25H,4,11H2,1-3H3,(H,22,24)/t16-/m1/s1
| Molecular Formula | C21H22N2O7S |
| Molecular Weight | 446.474 |
| 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
Sat Dec 16 10:08:35 GMT 2023
by
admin
on
Sat Dec 16 10:08:35 GMT 2023
|
| Record UNII |
0SUF2IX83T
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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1384441-38-6
Created by
admin on Sat Dec 16 10:08:35 GMT 2023 , Edited by admin on Sat Dec 16 10:08:35 GMT 2023
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68088610
Created by
admin on Sat Dec 16 10:08:35 GMT 2023 , Edited by admin on Sat Dec 16 10:08:35 GMT 2023
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0SUF2IX83T
Created by
admin on Sat Dec 16 10:08:35 GMT 2023 , Edited by admin on Sat Dec 16 10:08:35 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MINOR
FECAL
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