Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H25N3O8 |
| Molecular Weight | 447.4385 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[N@+]23CCC(CC2)[C@H](C3)NC(=O)C4=CC5=C(OC=C5)C=N4
InChI
InChIKey=JZWIJPSRQJXMEU-WEEKQVNRSA-N
InChI=1S/C21H25N3O8/c25-15-16(26)18(21(29)30)32-20(17(15)27)24-4-1-10(2-5-24)13(9-24)23-19(28)12-7-11-3-6-31-14(11)8-22-12/h3,6-8,10,13,15-18,20,25-27H,1-2,4-5,9H2,(H-,23,28,29,30)/t10?,13-,15-,16-,17+,18-,20+,24?/m0/s1
| Molecular Formula | C21H25N3O8 |
| Molecular Weight | 447.4385 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:07:32 UTC 2023
by
admin
on
Sat Dec 16 16:07:32 UTC 2023
|
| Record UNII |
Z1EM315XGM
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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947408-58-4
Created by
admin on Sat Dec 16 16:07:32 UTC 2023 , Edited by admin on Sat Dec 16 16:07:32 UTC 2023
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PRIMARY | |||
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Z1EM315XGM
Created by
admin on Sat Dec 16 16:07:32 UTC 2023 , Edited by admin on Sat Dec 16 16:07:32 UTC 2023
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PRIMARY | |||
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146048041
Created by
admin on Sat Dec 16 16:07:32 UTC 2023 , Edited by admin on Sat Dec 16 16:07:32 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
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