Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC1=CC=CC(O)=C1
InChI
InChIKey=FVMDYYGIDFPZAX-UHFFFAOYSA-N
InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:35:56 UTC 2023
by
admin
on
Fri Dec 15 18:35:56 UTC 2023
|
| Record UNII |
K59Z6Z8REF
|
| Record Status |
Validated (UNII)
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| Record Version |
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14360
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621-37-4
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DTXSID90211148
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12122
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17445
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K59Z6Z8REF
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210-684-4
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
Excretion of 3-Hydroxyphenylacetic acid in the urine of human subjects (n=6, 0-24hr total) after rutin (176 micromoles) supplemented tomato juice; Unit: micromoles
IN-VIVO
URINE
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PARENT -> METABOLITE |
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