Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H29N3O9 |
| Molecular Weight | 551.5446 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]1[C@H](OC2=CC=C3C=C2COC\C=C\COCC4=CC(=CC=C4)C5=CC=NC(N5)=N3)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
InChI
InChIKey=IAIXZUWYISFNGD-RYADJKIWSA-N
InChI=1S/C28H29N3O9/c32-22-23(33)25(26(35)36)40-27(24(22)34)39-21-7-6-19-13-18(21)15-38-11-2-1-10-37-14-16-4-3-5-17(12-16)20-8-9-29-28(30-19)31-20/h1-9,12-13,22-25,27,32-34H,10-11,14-15H2,(H,35,36)(H,29,30,31)/b2-1+/t22-,23-,24+,25-,27+/m0/s1
| Molecular Formula | C28H29N3O9 |
| Molecular Weight | 551.5446 |
| 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 19:30:36 UTC 2023
by
admin
on
Sat Dec 16 19:30:36 UTC 2023
|
| Record UNII |
C3TTL945JN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
166177299
Created by
admin on Sat Dec 16 19:30:36 UTC 2023 , Edited by admin on Sat Dec 16 19:30:36 UTC 2023
|
PRIMARY | |||
|
C3TTL945JN
Created by
admin on Sat Dec 16 19:30:36 UTC 2023 , Edited by admin on Sat Dec 16 19:30:36 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
PLASMA; URINE
|
