Compound ID: 491   

MF: C30H26O12  

MW: 578.5 g/mol   

InChIKey: XFZJEEAOWLFHDH-AVFWISQGSA-N  

Synonyms:

Procyanidin B3;  23567-23-9;  Proanthocyanidin B3;  CHEBI:75630;  2TC1A0KEAQ;

Catechin(4a->8)catechin;2,3-trans-proanthocyanidin;CHEMBL501490;catechin-(4alpha->8)-catechin;C-(4a,8)-C;(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol;Procyanidin B-3;(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3S,3'S,4S)-;UNII-2TC1A0KEAQ;[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3S,3'S,4S)-;PROCYANIDINB3;PROCYANIDOL B3S;(-)-PROCYANIDIN B3;SCHEMBL677697;DTXSID60178193;Catechin-(4.alpha.-->8)catechin;HY-N2345;BDBM50447858;LMPK12030003;ZINC42804873;(2R-(2alpha,3beta,4alpha(2'R*,3'S*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol;(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R-(2alpha,3beta,4alpha(2'R*,3'S*)))-;AC-35059;CS-0021307;Q7247553;(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichromane]-3,3',5,5',7,7'-hexaol;(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol;(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol;

Description: Procyanidin B3 is a proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 8" in alpha-configuration. It can be found in red wine, in barley, in beer, in peach or in Jatropha macranth...   Read full article at Wikipedia

Update Date: 2023-05-02 15:28:44  

Compound ID: 2846   

MF: C9H16O  

MW: 140.22 g/mol   

InChIKey: BSAIUMLZVGUGKX-FPLPWBNLSA-N  

Synonyms:

(Z)-Non-2-enal;  cis-2-Nonenal;  (Z)-2-nonenal;  2-Nonenal, (Z)-;  2-Nonenal, (2Z)-;

60784-31-8;3-Hexylacrolein;(2Z)-2-Nonenal;Non-2-enal;2-Nonen-1-al;(2Z)-NON-2-ENAL;ARM1W3309Z;beta-Hexylacrolein;Heptylideneacetaldehyde;alpha-Nonenyl aldehyde;3-hexyl-acrolein;UNII-ARM1W3309Z;3-Z-Nonenal;EINECS 262-428-6;2-(Z)-Nonenal;SCHEMBL891583;2-Nonenal (ACD/Name 4.0);DTXSID3052274;NSC20746;NSC-20746;ZINC70450810;A817412;Q27274087;

Description: 2-Nonenal is an unsaturated aldehyde which some research has associated with human body odor alterations during aging. The substance is also an important aroma component of aged beer and buckwheat. The odor of this substance is pe...   Read full article at Wikipedia

Update Date: 2023-05-02 14:33:34  

Compound ID: 2854   

MF: C5H12OS  

MW: 120.22 g/mol   

InChIKey: GBCGIJAYTBMFHI-UHFFFAOYSA-N  

Synonyms:

3-Mercapto-3-methyl-1-butanol;  34300-94-2;  3-methyl-3-sulfanylbutan-1-ol;  3-Mercapto-3-methylbutan-1-ol;  3-Mercapto-3-methylbutanol;

1-Butanol, 3-mercapto-3-methyl-;3-Methyl-3-sulfanyl-1-butanol;FEMA no. 3854;3-mercapto-3-methyl-butan-1-ol;3-Mercapto-3-methyl butyl alcohol;3-Mercapto-3-methyl-1-butanol [FHFI];3-Methyl-3-sulfanylbutanol-1-ol;1RF3LN9685;UNII-1RF3LN9685;3-mercapto-3-methyl butanol;SCHEMBL334236;FEMA 3854;3-methyl-3-sulfanyl-butan-1-ol;DTXSID50187870;CHEBI:156142;3-Mercapto-3-methylbutanol-[d6];MFCD00101881;ZINC14589097;AKOS015897572;AS-59797;DB-105627;FT-0655714;M2433;3-Mercapto-3-methylbutan-1-ol, >=98%, FG;D91597;EN300-179774;A822156;Q14201168;

Description: 3-methyl-3-sulfanylbutan-1-ol is an alkanethiol that is butane substituted at position 1 by a hydroxy group and at position 3 by methyl and sulfanyl groups. A volatile organic compound found in coffee, passion fruit juice, beer an...   Read full article at Wikipedia

Update Date: 2023-05-02 14:33:36  

Compound ID: 2893   

MF: C9H12O2  

MW: 152.19 g/mol   

InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N  

Synonyms:

4-Ethyl-2-methoxyphenol;  2785-89-9;  4-Ethylguaiacol;  p-Ethylguaiacol;  2-Methoxy-4-ethylphenol;

PHENOL, 4-ETHYL-2-METHOXY-;Guaiacyl ethane;Homocresol;4-ethyl guaiacol;4-ethyl-2-methoxy-phenol;4-Hydroxy-3-methoxy ethylbenzene;Guaiacol, 4-ethyl-;4-Hydroxy-3-methoxyethylbenzene;Guaiacol, 4-ethyl;FEMA No. 2436;4-Hydroxy-3-methoxyphenylethane;p-Ethyl-2-methoxyphenol;1-Hydroxy-2-methoxy-4-ethylbenzene;4-Ethyl-2-metoxy phenol;Phenol, 2-methoxy-4-ethyl;C9NFD83BJ5;CHEMBL3186900;DTXSID0047038;NSC-82313;4-Ethyl-2-methoxyphenol (4-ethylguaiacol);NSC 82313;UNII-C9NFD83BJ5;4-Ethyl guiacol;4-ethyl-guaiacol;EINECS 220-500-4;4-Ethylguaiacol-[d5];UNII-BX3THX8LT4;1-HYDROXY-2-METHOXY-4-ETHYL BENZENE;BX3THX8LT4;4-Ethyl-2-methoxy phenol;4-Ethyl-d5-2-methoxyphenol;SCHEMBL109504;4-Ethylguaiacol, natural, FG;4-ETHYLGUAIACOL [FHFI];4-ETHYL GUAIACOL [FCC];DTXCID8027038;FEMA 2436;CHEBI:179252;BCP19091;NSC82313;ZINC1631205;4-Ethylguaiacol, analytical standard;Tox21_302308;BDBM50548721;MFCD00038714;AKOS015851764;4-Ethylguaiacol, >=98%, FCC, FG;CCG-356437;CS-W018090;DS-4664;Ethylguiacol (4-ethyl-2-methoxyphenol);NCGC00256287-01;AC-15463;CAS-2785-89-9;DB-003479;4-Ethylguaiacol 1000 microg/mL in Methanol;E0353;FT-0618412;D90493;EN300-120486;Q229953;Q-100353;Z57234301;

Description: Constituent of numerous plant subspecies and cooked foods. Flavouring agent. 4-Ethyl-2-methoxyphenol is found in many foods, some of which are red bell pepper, green bell pepper, beer, and arabica coffee.   Read full article at Wikipedia

Update Date: 2023-05-02 14:33:44  

Compound ID: 661   

MF: C11H18N2O2  

MW: 210.27 g/mol   

InChIKey: SZJNCZMRZAUNQT-UHFFFAOYSA-N  

Synonyms:

5654-86-4;  Cyclo(Pro-Leu);  3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione;  Cyclo(leucyloprolyl);  Cyclo(leucylprolyl);

3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-;3-(2-methylpropyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione;Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-;KQV8MY059B;EINECS 220-710-6;BRN 0085716;Cyclo(proline-leucine);Cyclo-L-prolyl-L-leucine;UNII-KQV8MY059B;SCHEMBL168687;ACon0_000484;ACon1_000716;DTXSID80951384;(3S-trans)-Hexahydro-3-isobutylpyrrolo(1,2-a)pyrazine-1,4-dione;HY-N8743;Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-isobutyl-, stereoisomer;(3S,8aS)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-, (3S-trans)-;CYCLIC DIPEPTIDE WITH PROLINE ;;;NCGC00169428-01;cyclo(Leu-Pro); Cyclo(L-leucyl-L-prolyl);CS-0148997;FT-0665321;EN300-9434147;5-24-07-00347 (Beilstein Handbook Reference);A876644;3-Isobutyloctahydropyrrolo[1,2-a]pyrazine-1,4-dione;BRD-A04763029-001-01-1;1-Hydroxy-3-(2-methylpropyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one;

Description: Production by microorganisms. Bitter component of sake and contributes to the flavour of beer. L,L-Cyclo(leucylprolyl) is found in alcoholic beverages.   

Update Date: 2023-05-02 15:28:44  

Compound ID: 3229   

MF: C10H12O2  

MW: 164.2 g/mol   

InChIKey: NJGBTKGETPDVIK-UHFFFAOYSA-N  

Synonyms:

4-(4-Hydroxyphenyl)-2-butanone;  5471-51-2;  Raspberry ketone;  4-(4-Hydroxyphenyl)butan-2-one;  Frambinone;

Oxyphenalon;Rheosmin;4-(p-Hydroxyphenyl)-2-butanone;Rasketone;4-Hydroxybenzylacetone;p-Hydroxybenzyl acetone;2-Butanone, 4-(4-hydroxyphenyl)-;4-(3-Oxobutyl)phenol;1-(p-Hydroxyphenyl)-3-butanone;1-(4-Hydroxyphenyl)-3-butanone;rasberry ketone;(p-Hydroxybenzyl)acetone;2-BUTANONE, 4-(p-HYDROXYPHENYL)-;FEMA No. 2588;p-hydroxyphenylbutan-2-one;NSC 26515;RASPBERRYKETONE;7QY1MH15BG;CHEMBL105912;DTXSID5044495;CHEBI:68656;MFCD00002394;NSC-26515;4-[4-hydroxyphenyl]butan-2-one;Oxyphenylon;Hydroxyphenylbutanone, p-;EINECS 226-806-4;UNII-7QY1MH15BG;BRN 0776080;Himbeerketon;Frambione;Rheosmine;4-(p-Hydroxyphenyl)-2-butanone (natural);AI3-31812;HSDB 8163;Nat. Raspberry Ketone;p-Hydroxy benzylacetone;(4-Hydroxybenzyl)acetone;4-hydroxyphenylbutan-2-one;EC 226-806-4;SCHEMBL43308;WLN: QR D2V1;P-HYDROXY-BENZYLACETONE;RASPBERRY KETONE [MI];NATURAL RASPBERRY KETONE;4-(p-Hydroxyphenyl)2-Butanone;RASPBERRY KETONE [INCI];DTXCID3024495;RASPBERRY KETONE [VANDF];FEMA 2588;2-Butanone,4-Hydroxybenzylacetone;RASPBERRY KETONE [USP-RS];ZINC154632;4-(4-hydroxyphenyl) butan-2-one;4-(4-hydroxyphenyl)-butan-2-one;HY-N1426;NSC26515;1-(4-hydroxy-phenyl)-butan-3-one;Tox21_301459;4-(4-Hydroxy-phenyl)-butan-2-one;BBL009822;BDBM50315100;s9480;STK801275;AKOS000120840;4(P-HYDROXYPHENYL)-2-BUTANONE;PS-4612;RASPBERRY KETONE [USP IMPURITY];4-(4-Hydroxyphenyl)-2-butanone, 99%;NCGC00255780-01;4-(4'-Hydroxyphenyl)-2-butanone-[d5];AC-24193;SY004032;CAS-5471-51-2;DB-003440;DOBUTAMINE IMPURITY B [EP IMPURITY];CS-0016855;FT-0616638;FT-0669951;H0604;EN300-18634;4-(P-HYDROXYPHENYL)-2-BUTANONE [FCC];4-(P-HYDROXYPHENYL)-2-BUTANONE [FHFI];D70581;4-(4-HYDROXYPHENYL)BUTAN-2-ONE [WHO-DD];A830340;AE-473/30684056;Q414484;W-105606;4-(4-Hydroxyphenyl)-2-butanone, >=98%, FCC, FG;4-(4-Hydroxyphenyl)-2-butanone, analytical standard;DOBUTAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY];4-(4-Hydroxyphenyl)-2-butanone, natural, >=98%, FCC, FG;4-(4-Hydroxyphenyl)-2-butanone, certified reference material, TraceCERT(R);Raspberry ketone, United States Pharmacopeia (USP) Reference Standard;RACTOPAMINE HYDROCHLORIDE SUSPENSION IMPURITY, RASPBERRY KETONE- [USP IMPURITY];BKZ;

Description: Raspberry ketone is 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...   Read full article at Wikipedia

Update Date: 2023-05-02 14:35:03  

Compound ID: 2522   

MF: C7H7NO  

MW: 121.14 g/mol   

InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N  

Synonyms:

2-ACETYLPYRIDINE;  1122-62-9;  1-(pyridin-2-yl)ethanone;  1-pyridin-2-ylethanone;  Methyl 2-pyridyl ketone;

Acetylpyridine;Ketone, methyl 2-pyridyl;2-Pyridyl methyl ketone;2-Acetopyridine;1-Pyridin-2-yl-ethanone;Ethanone, 1-(2-pyridinyl)-;2-acetyl pyridine;1-(2-Pyridinyl)ethanone;Acetyl pyridine;1-(Pyridin-2-Yl)Ethan-1-One;Ethanone, 1-(pyridinyl)-;MFCD00006303;FEMA No. 3251;FEMA 3251;CHEMBL11945;DTXSID7024409;629O10UI3L;NSC-15043;DTXCID804409;2-Acetylpyridine (natural);CAS-1122-62-9;CCRIS 7784;EINECS 214-355-6;NSC 15043;UNII-AQQ7807JD8;UNII-629O10UI3L;AI3-52210;1-(2-PYRIDYL)ETHANONE;2-acetyipyridine;2-acetyl-pyridine;1-Pyridin-2-ylmethanone;1-(pyridine-2-yl)ethanone;SCHEMBL55127;1-(2-Pyridinyl)ethanone #;2-Acetylpyridine, >=99%;1-(2-Pyridyl)-1-ethanone;30440-88-1;MLS002152864;AQQ7807JD8;2-ACETYLPYRIDINE [FHFI];1-(2-Pyridinyl)ethanone, 9CI;2-Acetylpyridine, >=99%, FG;CHEBI:193619;HMS2268O15;1-(2-PYRIDINYL)-ETHANONE;2-ACETYLPYRIDINE [USP-RS];ACT06583;NSC15043;ZINC1655483;Tox21_201499;Tox21_303104;BDBM50026891;STL145899;2-Acetylpyridine, analytical standard;AKOS000119795;AB00686;CS-W008602;NCGC00091706-01;NCGC00091706-02;NCGC00256952-01;NCGC00259050-01;AS-14447;SMR000112288;DB-015932;A0111;AM20061676;FT-0610981;EN300-19607;P19605;A802529;Q-100067;Q4596853;F0001-0271;Z104474432;2-Acetylpyridine, United States Pharmacopeia (USP) Reference Standard;

Description: 2-Acetylpyridine is a flavouring agent. It is found in wheat bread, cooked beef, roast lamb, grape brandies, roast peanut, roast filbert, beer, cocoa, black tea, coriander seed and other foodstuffs.   Read full article at Wikipedia

Update Date: 2023-05-02 14:32:18