Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H31N3O11 |
| Molecular Weight | 597.5699 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=CC5=C(C=CC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)=C5CN(C)C)N=C34)C2=O
InChI
InChIKey=QQRGIPABMGYTNH-TVDWMWFASA-N
InChI=1S/C29H31N3O11/c1-4-29(40)16-8-18-20-12(9-32(18)25(36)15(16)11-41-28(29)39)7-13-14(10-31(2)3)19(6-5-17(13)30-20)42-27-23(35)21(33)22(34)24(43-27)26(37)38/h5-8,21-24,27,33-35,40H,4,9-11H2,1-3H3,(H,37,38)/t21-,22-,23+,24-,27+,29-/m0/s1
| Molecular Formula | C29H31N3O11 |
| Molecular Weight | 597.5699 |
| 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
Wed Apr 02 13:27:31 GMT 2025
by
admin
on
Wed Apr 02 13:27:31 GMT 2025
|
| Record UNII |
T55C5G6JRG
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English |
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214466-76-9
Created by
admin on Wed Apr 02 13:27:31 GMT 2025 , Edited by admin on Wed Apr 02 13:27:31 GMT 2025
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T55C5G6JRG
Created by
admin on Wed Apr 02 13:27:31 GMT 2025 , Edited by admin on Wed Apr 02 13:27:31 GMT 2025
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102438951
Created by
admin on Wed Apr 02 13:27:31 GMT 2025 , Edited by admin on Wed Apr 02 13:27:31 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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