Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H28N2O9 |
| Molecular Weight | 548.5406 |
| 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(OCCC3=C(CO)OC(=N3)C4=CC=C(O)C=C4)C=C2)C=C1
InChI
InChIKey=REYODLMMIVHAOF-UHFFFAOYSA-N
InChI=1S/C29H28N2O9/c1-37-22-10-12-24(13-11-22)39-29(36)31(17-27(34)35)16-19-2-8-23(9-3-19)38-15-14-25-26(18-32)40-28(30-25)20-4-6-21(33)7-5-20/h2-13,32-33H,14-18H2,1H3,(H,34,35)
| Molecular Formula | C29H28N2O9 |
| Molecular Weight | 548.5406 |
| 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 07:55:20 GMT 2025
by
admin
on
Wed Apr 02 07:55:20 GMT 2025
|
| Record UNII |
L3JL99RG9Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
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875430-21-0
Created by
admin on Wed Apr 02 07:55:20 GMT 2025 , Edited by admin on Wed Apr 02 07:55:20 GMT 2025
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L3JL99RG9Q
Created by
admin on Wed Apr 02 07:55:20 GMT 2025 , Edited by admin on Wed Apr 02 07:55:20 GMT 2025
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136036587
Created by
admin on Wed Apr 02 07:55:20 GMT 2025 , Edited by admin on Wed Apr 02 07:55:20 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL
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|
PARENT -> METABOLITE |
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