Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H22N2O8 |
Molecular Weight | 430.408 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]4(O[C@H]1CC2=CC=CC=C2N(C(N)=O)C3=C1C=CC=C3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O
InChI
InChIKey=CMBFCYCIYDPVRG-YKPCMBIXSA-N
InChI=1S/C21H22N2O8/c22-21(29)23-12-7-3-1-5-10(12)9-14(11-6-2-4-8-13(11)23)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h1-8,14-18,20,24-26H,9H2,(H2,22,29)(H,27,28)/t14-,15-,16-,17+,18-,20+/m0/s1
Molecular Formula | C21H22N2O8 |
Molecular Weight | 430.408 |
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
Sat Dec 16 09:26:57 GMT 2023
by
admin
on
Sat Dec 16 09:26:57 GMT 2023
|
Record UNII |
B4F924P558
|
Record Status |
Validated (UNII)
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Record Version |
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-
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B4F924P558
Created by
admin on Sat Dec 16 09:26:57 GMT 2023 , Edited by admin on Sat Dec 16 09:26:57 GMT 2023
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71750799
Created by
admin on Sat Dec 16 09:26:57 GMT 2023 , Edited by admin on Sat Dec 16 09:26:57 GMT 2023
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104746-02-3
Created by
admin on Sat Dec 16 09:26:57 GMT 2023 , Edited by admin on Sat Dec 16 09:26:57 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |
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PARENT -> METABOLITE |
URINE
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