Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H24N2O8S |
| Molecular Weight | 464.489 |
| 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)NC(=O)C2=CC=CC(NC(C)=O)=C2C(O)=O
InChI
InChIKey=ZHUCOAKDLOTYGA-MRXNPFEDSA-N
InChI=1S/C21H24N2O8S/c1-4-31-18-10-13(8-9-17(18)25)16(11-32(3,29)30)23-20(26)14-6-5-7-15(22-12(2)24)19(14)21(27)28/h5-10,16,25H,4,11H2,1-3H3,(H,22,24)(H,23,26)(H,27,28)/t16-/m1/s1
| Molecular Formula | C21H24N2O8S |
| Molecular Weight | 464.489 |
| 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 |
39HD8U1X28
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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39HD8U1X28
Created by
admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
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PRIMARY | |||
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1384439-48-8
Created by
admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
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91810683
Created by
admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
Major fecal
MAJOR
FECAL
|
