Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H](CCC(O)=O)C1=CN=CC=C1
InChI
InChIKey=STZOZPPVGWNSMC-MRVPVSSYSA-N
InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)/t8-/m1/s1
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| 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
Wed Apr 02 11:35:25 GMT 2025
by
admin
on
Wed Apr 02 11:35:25 GMT 2025
|
| Record UNII |
GA8N963SZU
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
40467861
Created by
admin on Wed Apr 02 11:35:25 GMT 2025 , Edited by admin on Wed Apr 02 11:35:25 GMT 2025
|
PRIMARY | PUBCHEM | ||
|
220964-74-9
Created by
admin on Wed Apr 02 11:35:25 GMT 2025 , Edited by admin on Wed Apr 02 11:35:25 GMT 2025
|
PRIMARY | |||
|
GA8N963SZU
Created by
admin on Wed Apr 02 11:35:25 GMT 2025 , Edited by admin on Wed Apr 02 11:35:25 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
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URINE
|
