Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H30N2O9 |
| Molecular Weight | 502.5137 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@]3([H])C[C@@H](C[C@]([H])(C1)N3C[C@H]2O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)OC(=O)C5=CNC6=C5C=CC=C6
InChI
InChIKey=AHLHDKGZWOOHBZ-SZLFRCJVSA-N
InChI=1S/C25H30N2O9/c28-19-20(29)22(23(31)32)36-25(21(19)30)35-18-10-27-12-5-11(18)6-13(27)8-14(7-12)34-24(33)16-9-26-17-4-2-1-3-15(16)17/h1-4,9,11-14,18-22,25-26,28-30H,5-8,10H2,(H,31,32)/t11-,12-,13+,14+,18-,19+,20+,21-,22+,25-/m1/s1
| Molecular Formula | C25H30N2O9 |
| Molecular Weight | 502.5137 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:40:43 UTC 2023
by
admin
on
Sat Dec 16 09:40:43 UTC 2023
|
| Record UNII |
U2406C5A41
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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168751-59-5
Created by
admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
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PRIMARY | |||
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91810626
Created by
admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
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PRIMARY | |||
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U2406C5A41
Created by
admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR GLUCURONIDE
URINE
|
