Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H21NO10S2 |
| Molecular Weight | 439.458 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS(O)(=O)=O)=CC=C1
InChI
InChIKey=RYDIUEJGEAUJAI-MFIRQCQASA-N
InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15+/m1/s1
| Molecular Formula | C15H21NO10S2 |
| Molecular Weight | 439.458 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:59:46 GMT 2025
by
admin
on
Mon Mar 31 19:59:46 GMT 2025
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| Record UNII |
U4PL68V5CY
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| Record Status |
Validated (UNII)
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| Record Version |
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U4PL68V5CY
Created by
admin on Mon Mar 31 19:59:46 GMT 2025 , Edited by admin on Mon Mar 31 19:59:46 GMT 2025
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111810-95-8
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5409
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656549
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DTXSID20920574
Created by
admin on Mon Mar 31 19:59:46 GMT 2025 , Edited by admin on Mon Mar 31 19:59:46 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Semiquantified by HPLC.
Compound resulted to be 3.6 mg/g of dry tuber(mean n = 3; SD = 0.07).
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE -> PARENT |
occurs in cruciferous vegetables
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