Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H23N3O10 |
| Molecular Weight | 549.4856 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]1[C@H](OC2=C(C=CC=C2)C3=NN(C(=N3)C4=C(O)C=CC=C4)C5=CC=C(C=C5)C(O)=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
InChI
InChIKey=VZBGWWQXUJQLAJ-BMODKXSASA-N
InChI=1S/C27H23N3O10/c31-17-7-3-1-5-15(17)24-28-23(29-30(24)14-11-9-13(10-12-14)25(35)36)16-6-2-4-8-18(16)39-27-21(34)19(32)20(33)22(40-27)26(37)38/h1-12,19-22,27,31-34H,(H,35,36)(H,37,38)/t19-,20-,21+,22-,27+/m0/s1
| Molecular Formula | C27H23N3O10 |
| Molecular Weight | 549.4856 |
| 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 10:12:01 GMT 2023
by
admin
on
Sat Dec 16 10:12:01 GMT 2023
|
| Record UNII |
D50PQ1R10Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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135566034
Created by
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1233196-92-3
Created by
admin on Sat Dec 16 10:12:01 GMT 2023 , Edited by admin on Sat Dec 16 10:12:01 GMT 2023
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DTXSID701112897
Created by
admin on Sat Dec 16 10:12:01 GMT 2023 , Edited by admin on Sat Dec 16 10:12:01 GMT 2023
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D50PQ1R10Q
Created by
admin on Sat Dec 16 10:12:01 GMT 2023 , Edited by admin on Sat Dec 16 10:12:01 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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