Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C=CC(=C1)[C@@H](O)CO
InChI
InChIKey=FBWPWWWZWKPJFL-QMMMGPOBSA-N
InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3/t8-/m0/s1
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| 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 08:10:02 UTC 2023
by
admin
on
Sat Dec 16 08:10:02 UTC 2023
|
| Record UNII |
Z02B4Y02FV
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Z02B4Y02FV
Created by
admin on Sat Dec 16 08:10:02 UTC 2023 , Edited by admin on Sat Dec 16 08:10:02 UTC 2023
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688030
Created by
admin on Sat Dec 16 08:10:02 UTC 2023 , Edited by admin on Sat Dec 16 08:10:02 UTC 2023
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87171-18-4
Created by
admin on Sat Dec 16 08:10:02 UTC 2023 , Edited by admin on Sat Dec 16 08:10:02 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE INACTIVE |
Unit: percent of tritium in the urine;
See table 1 in the source document.
IN-VIVO
URINE
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PARENT -> METABOLITE |
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