loading...| Preferred Name |
raspberry ketone |
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| Synonyms |
p-Hydroxybenzyl acetone 1-(4-Hydroxyphenyl)-3-butanone 4-(4-Hydroxyphenyl)-2-butanone p-hydroxyphenylbutan-2-one 4-(4-hydroxyphenyl)butan-2-one C10H12O2 4-Hydroxybenzylacetone 1-(p-Hydroxyphenyl)-3-butanone (p-Hydroxybenzyl)acetone 4-(3-Oxobutyl)phenol 4-(p-Hydroxyphenyl)-2-butanone |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_68656 |
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| Definition |
A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. |
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| has role |
http://purl.obolibrary.org/obo/CHEBI_35497 http://purl.obolibrary.org/obo/CHEBI_48318 http://purl.obolibrary.org/obo/CHEBI_26619 http://purl.obolibrary.org/obo/CHEBI_62868 |
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| InChI |
InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3 |
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| InChIKey |
InChIKey=NJGBTKGETPDVIK-UHFFFAOYSA-N |
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| label |
raspberry ketone |
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| prefixIRI |
obo2:CHEBI_68656 |
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| prefLabel |
raspberry ketone |
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| SMILES |
CC(=O)CCc1ccc(O)cc1 |
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| Synonym |
p-Hydroxybenzyl acetone 1-(4-Hydroxyphenyl)-3-butanone 4-(4-Hydroxyphenyl)-2-butanone p-hydroxyphenylbutan-2-one 4-(4-hydroxyphenyl)butan-2-one C10H12O2 4-Hydroxybenzylacetone 1-(p-Hydroxyphenyl)-3-butanone (p-Hydroxybenzyl)acetone 4-(3-Oxobutyl)phenol 4-(p-Hydroxyphenyl)-2-butanone |
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| xref |
CASRN:5471-51-2 CiteXplore:22551412 CiteXplore:18833746 Patent:WO2009118755 Patent:WO2008113495 CiteXplore:21954327 CiteXplore:20226658 CiteXplore:20831962 Patent:US2012052137 HMDB:HMDB33723 ChEMBL:271837 Reaxys:776080 SUBMITTER:21802408 CiteXplore:20429456 Patent:WO2012085287 Patent:US2009221694 CASRN:776080 Wikipedia:Raspberry_ketone CiteXplore:20425690 CiteXplore:18321745 Patent:GB2470338 CiteXplore:22890807 NIST Chemistry WebBook:5471-51-2 CiteXplore:20077243 Patent:US6222062 CiteXplore:21702480 Patent:US2011257439 CiteXplore:18473468 CiteXplore:5489397 SUBMITTER:CPD-8647 |
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| subClassOf |