Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18O6S |
| Molecular Weight | 338.376 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1=CC(=O)OC2=C1C=CC(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)=C2
InChI
InChIKey=AJPYMAXBUCUFLQ-MSQAHXEGSA-N
InChI=1S/C16H18O6S/c1-2-8-5-13(18)22-12-6-9(3-4-10(8)12)21-16-15(20)14(19)11(17)7-23-16/h3-6,11,14-17,19-20H,2,7H2,1H3/t11-,14+,15-,16-/m1/s1
| Molecular Formula | C16H18O6S |
| Molecular Weight | 338.376 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:41:17 GMT 2025
by
admin
on
Mon Mar 31 18:41:17 GMT 2025
|
| Record UNII |
753UJ7AGLA
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Preferred Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29750
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C83783
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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196889
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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7062
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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C122024
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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DTXSID20160110
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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CHEMBL2106368
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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SUB08131MIG
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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100000083684
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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753UJ7AGLA
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY | |||
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137214-72-3
Created by
admin on Mon Mar 31 18:41:17 GMT 2025 , Edited by admin on Mon Mar 31 18:41:17 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |