Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H45F4N5O8 |
| Molecular Weight | 751.7662 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@]1([H])[C@]2([H])CN([C@]1([H])C(=N[C@@]3(C[C@@]3([H])C(F)F)C(=O)O)O)C(=O)[C@]([H])(C(C)(C)C)N=C(O)O[C@]4([H])C[C@@]4([H])CCCCC(c5c(nc6cc(ccc6n5)OC)O2)(F)F
InChI
InChIKey=XWKBFIWNEBQUKB-HITKRFSDSA-N
InChI=1S/C36H45F4N5O8/c1-6-19-24-16-45(25(19)29(46)44-35(32(48)49)15-20(35)28(37)38)31(47)27(34(2,3)4)43-33(50)53-23-13-17(23)9-7-8-12-36(39,40)26-30(52-24)42-22-14-18(51-5)10-11-21(22)41-26/h10-11,14,17,19-20,23-25,27-28H,6-9,12-13,15-16H2,1-5H3,(H,43,50)(H,44,46)(H,48,49)/t17-,19-,20+,23-,24+,25+,27-,35-/m1/s1
| Molecular Formula | C36H45F4N5O8 |
| Molecular Weight | 751.7662 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Jun 25 23:51:08 UTC 2021
by
admin
on
Fri Jun 25 23:51:08 UTC 2021
|
| Record UNII |
DRH4W20GAD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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DRH4W20GAD
Created by
admin on Fri Jun 25 23:51:08 UTC 2021 , Edited by admin on Fri Jun 25 23:51:08 UTC 2021
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154925831
Created by
admin on Fri Jun 25 23:51:08 UTC 2021 , Edited by admin on Fri Jun 25 23:51:08 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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