| Stereochemistry | UNKNOWN |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Could be a epimer or mixed |
SHOW SMILES / InChI
SMILES
CCCC(C(O)CC)C(O)=O
InChI
InChIKey=LLPFTSMZBSRZDV-UHFFFAOYSA-N
InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
|
|
PARENT -> METABOLITE |
contributes partially
MOLE PERCENT OF AMOUNT EXCRETED
2.65 % [0.35 to 4.95] (average) |
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