Details
Stereochemistry | ACHIRAL |
Molecular Formula | C12H16O3 |
Molecular Weight | 208.2536 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(OC)=C(OC)C=C1\C=C/C
InChI
InChIKey=RKFAZBXYICVSKP-WAYWQWQTSA-N
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
Molecular Formula | C12H16O3 |
Molecular Weight | 208.2536 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 20:16:57 UTC 2023
by
admin
on
Fri Dec 15 20:16:57 UTC 2023
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Record UNII |
IGA3MH6IUW
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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JECFA EVALUATION |
BETA-ASARONE
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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Code System | Code | Type | Description | ||
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5281758
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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5273-86-9
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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DTXSID601020057
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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226-096-6
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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10353
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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ASARONE
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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IGA3MH6IUW
Created by
admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
In view of the toxic properties documented for the oil and associated with beta-asarone, it has been recommended that only beta-asarone-free calamus root should be used in phytotherapy.
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