Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H19NO11 |
| Molecular Weight | 449.365 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C2)[N+]([O-])=O
InChI
InChIKey=QQQCXCUCFPMHBX-HBWRTXEVSA-N
InChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(22)10-6-11(21(29)30)14(23)12(7-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h2-7,15-18,20,23-26H,1H3,(H,27,28)/t15-,16-,17+,18-,20+/m0/s1
| Molecular Formula | C20H19NO11 |
| Molecular Weight | 449.365 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:34:04 GMT 2023
by
admin
on
Sat Dec 16 09:34:04 GMT 2023
|
| Record UNII |
49RTJ747IG
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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49RTJ747IG
Created by
admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
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204853-33-8
Created by
admin on Sat Dec 16 09:34:04 GMT 2023 , Edited by admin on Sat Dec 16 09:34:04 GMT 2023
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29987498
Created by
admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE INACTIVE |
The major early metabolite present in plasma; the most abundant metabolite in urine and faeces, accounting for 27% and 33%, respectively. Mediator is glucuronyltransferase
MAJOR
FECAL; PLASMA; URINE
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