Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H18O3 |
Molecular Weight | 222.2802 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)C(=O)CCC1=CC(O)=C(O)C=C1
InChI
InChIKey=DTBRTJQBEZDPGW-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4,6,8,14-15H,5,7H2,1-3H3
Molecular Formula | C13H18O3 |
Molecular Weight | 222.2802 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:48:39 GMT 2023
by
admin
on
Sat Dec 16 10:48:39 GMT 2023
|
Record UNII |
C542BXP4J7
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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C542BXP4J7
Created by
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106174-95-2
Created by
admin on Sat Dec 16 10:48:40 GMT 2023 , Edited by admin on Sat Dec 16 10:48:40 GMT 2023
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156596429
Created by
admin on Sat Dec 16 10:48:40 GMT 2023 , Edited by admin on Sat Dec 16 10:48:40 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE INACTIVE |