Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22N2O8S |
| Molecular Weight | 462.473 |
| 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(=O)CO)=C3C2=O
InChI
InChIKey=ILPGBIZNVGEKFG-OAHLLOKOSA-N
InChI=1S/C21H22N2O8S/c1-3-31-17-9-12(7-8-16(17)25)15(11-32(2,29)30)23-20(27)13-5-4-6-14(19(13)21(23)28)22-18(26)10-24/h4-9,15,24-25H,3,10-11H2,1-2H3,(H,22,26)/t15-/m1/s1
| Molecular Formula | C21H22N2O8S |
| Molecular Weight | 462.473 |
| 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 10:08:37 GMT 2023
by
admin
on
Sat Dec 16 10:08:37 GMT 2023
|
| Record UNII |
P08G661IRZ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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57524408
Created by
admin on Sat Dec 16 10:08:37 GMT 2023 , Edited by admin on Sat Dec 16 10:08:37 GMT 2023
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P08G661IRZ
Created by
admin on Sat Dec 16 10:08:37 GMT 2023 , Edited by admin on Sat Dec 16 10:08:37 GMT 2023
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1384440-08-7
Created by
admin on Sat Dec 16 10:08:37 GMT 2023 , Edited by admin on Sat Dec 16 10:08:37 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MINOR
FECAL
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