Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H26N2O8 |
| Molecular Weight | 506.5039 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC(=O)NC(=O)C3=CC=CC=C3)C=C2)C=C1
InChI
InChIKey=BCPYRWFJFPXIAV-UHFFFAOYSA-N
InChI=1S/C27H26N2O8/c1-35-21-11-13-23(14-12-21)37-27(34)29(18-25(31)32)17-19-7-9-22(10-8-19)36-16-15-24(30)28-26(33)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,31,32)(H,28,30,33)
| Molecular Formula | C27H26N2O8 |
| Molecular Weight | 506.5039 |
| 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
Wed Apr 02 07:30:22 GMT 2025
by
admin
on
Wed Apr 02 07:30:22 GMT 2025
|
| Record UNII |
Y3DG1KPS95
|
| Record Status |
Validated (UNII)
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| Record Version |
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44448632
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875430-22-1
Created by
admin on Wed Apr 02 07:30:22 GMT 2025 , Edited by admin on Wed Apr 02 07:30:22 GMT 2025
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Y3DG1KPS95
Created by
admin on Wed Apr 02 07:30:22 GMT 2025 , Edited by admin on Wed Apr 02 07:30:22 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
FECAL
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