Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@]1(CNC2=O)C3=CC=C(C=C3)C(O)=O
InChI
InChIKey=WPPINKHEYLVIQX-SKDRFNHKSA-N
InChI=1S/C12H11NO3/c14-10-9-5-12(9,6-13-10)8-3-1-7(2-4-8)11(15)16/h1-4,9H,5-6H2,(H,13,14)(H,15,16)/t9-,12+/m1/s1
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:41:08 UTC 2023
by
admin
on
Sat Dec 16 15:41:08 UTC 2023
|
| Record UNII |
C14DZ658HT
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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1014695-76-1
Created by
admin on Sat Dec 16 15:41:08 UTC 2023 , Edited by admin on Sat Dec 16 15:41:08 UTC 2023
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C14DZ658HT
Created by
admin on Sat Dec 16 15:41:08 UTC 2023 , Edited by admin on Sat Dec 16 15:41:08 UTC 2023
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PRIMARY | |||
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145996600
Created by
admin on Sat Dec 16 15:41:08 UTC 2023 , Edited by admin on Sat Dec 16 15:41:08 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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MAJOR
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PARENT -> METABOLITE |
PLASMA
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PARENT -> METABOLITE |
FECAL
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