Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.4275 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@@H](O)[C@H](CC\C=C\CC(O)=O)[C@@]1([H])CC3=C(C2)C(OCC(O)=O)=CC=C3
InChI
InChIKey=NVTIWSLEXNPHQF-BNNKELBSSA-N
InChI=1S/C21H26O6/c22-18-11-14-10-17-13(5-4-7-19(17)27-12-21(25)26)9-16(14)15(18)6-2-1-3-8-20(23)24/h1,3-5,7,14-16,18,22H,2,6,8-12H2,(H,23,24)(H,25,26)/b3-1+/t14-,15+,16-,18+/m0/s1
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.4275 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:21:46 GMT 2023
by
admin
on
Sat Dec 16 00:21:46 GMT 2023
|
| Record UNII |
3PE8S99ZTG
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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3PE8S99ZTG
Created by
admin on Sat Dec 16 00:21:46 GMT 2023 , Edited by admin on Sat Dec 16 00:21:46 GMT 2023
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91618009
Created by
admin on Sat Dec 16 00:21:46 GMT 2023 , Edited by admin on Sat Dec 16 00:21:46 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
URINE
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