Exact Mass: 145.0527612

Exact Mass Matches: 145.0527612

Found 82 metabolites which its exact mass value is equals to given mass value 145.0527612, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Indole-3-carboxaldehyde

1H-indole-3-carbaldehyde

C9H7NO (145.0528)


Indole-3-carboxaldehyde (IAld or I3A), also known as 3-formylindole or 3-indolealdehyde, belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. In humans, I3A is a biologically active metabolite which acts as a receptor agonist at the aryl hydrocarbon receptor in intestinal immune cells. It stimulates the production of interleukin-22 which facilitates mucosal reactivity (PMID:27102537). I3A is a microbially derived tryptophan metabolite produced by Clostridium and Lactobacillus (PMID:30120222, 27102537). I3A has also been found in the urine of patients with untreated phenylketonuria (PMID:5073866). I3A has been detected, but not quantified, in several different foods, such as beans, Brussels sprouts, cucumbers, cereals and cereal products, and white cabbages. This could make I3A a potential biomarker for the consumption of these foods. Indole-3-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite, a human xenobiotic metabolite, a bacterial metabolite and a marine metabolite. It is a heteroarenecarbaldehyde, an indole alkaloid and a member of indoles. Indole-3-carboxaldehyde is a natural product found in Euphorbia hirsuta, Derris ovalifolia, and other organisms with data available. A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. Found in barley and tomato seedlings and cotton Indole-3-carboxaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=487-89-8 (retrieved 2024-07-02) (CAS RN: 487-89-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].

   

Oxyquinoline

8-HYDROXYQUINOLINE

C9H7NO (145.0528)


G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AC - Quinoline derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AH - Quinoline derivatives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE standard compound; ML_ID 55

   

quinolone

2-Hydroxyquinoline

C9H7NO (145.0528)


KEIO_ID Q001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 52 CONFIDENCE standard compound; INTERNAL_ID 2491

   

4-Hydroxyquinoline

1,4-dihydroquinolin-4-one

C9H7NO (145.0528)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 53 CONFIDENCE standard compound; INTERNAL_ID 2492 KEIO_ID H139

   

1-Hydroxyisoquinoline

1,2-dihydroisoquinolin-1-one

C9H7NO (145.0528)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 70 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-Methyleneoxindole

3-Methyleneoxindole

C9H7NO (145.0528)


   

4-[(E)-2-isocyanoethenyl]phenol

4-[(E)-2-isocyanoethenyl]phenol

C9H7NO (145.0528)


   

4,1-Benzoxazepine

4,1-Benzoxazepine

C9H7NO (145.0528)


   

3-Quinolol

3-Hydroxyquinoline

C9H7NO (145.0528)


   

6-Hydroxyquinoline

6-Hydroxyquinoline

C9H7NO (145.0528)


   

Quinoline 1-oxide

Quinoline 1-oxide

C9H7NO (145.0528)


   

4-Indolecarbaldehyde

4-Indolecarbaldehyde

C9H7NO (145.0528)


   

Indole-7-carboxaldehyde

Indole-7-carboxaldehyde

C9H7NO (145.0528)


   

Indole-5-carboxaldehyde

Indole-5-carboxaldehyde

C9H7NO (145.0528)


   

Isoquinoline N-oxide

Isoquinoline N-oxide

C9H7NO (145.0528)


   

Indole-3-carboxaldehyde

INDOLE-3-CARBOXYALDEHYDE

C9H7NO (145.0528)


Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].

   

indole-3-aldehyde

Indole-3-carboxaldehyde

C9H7NO (145.0528)


Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].

   

indole-3-carbaldehyde

indole-3-carbaldehyde

C9H7NO (145.0528)


   

2-Hydroxyquinoline

2-Hydroxyquinoline

C9H7NO (145.0528)


   

4-Hydroxyquinoline

4-Hydroxyquinoline

C9H7NO (145.0528)


Annotation level-1

   

6-Quinolinol

6-Hydroxyquinoline

C9H7NO (145.0528)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 69

   

Quinoline N-oxide

Quinoline N-oxide

C9H7NO (145.0528)


CONFIDENCE standard compound; INTERNAL_ID 2509

   

8-HYDROXYQUINOLINE

8-HYDROXYQUINOLINE

C9H7NO (145.0528)


CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3815; ORIGINAL_PRECURSOR_SCAN_NO 3813 CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4227; ORIGINAL_PRECURSOR_SCAN_NO 4222

   

4-formyl Indole

1H-Indole-4-carbaldehyde

C9H7NO (145.0528)


   

3-Ethynylbenzamide

3-Ethynylbenzamide

C9H7NO (145.0528)


   

(3-Methylphenyl)(oxo)acetonitrile

(3-Methylphenyl)(oxo)acetonitrile

C9H7NO (145.0528)


   

2-ethenyl-1,3-benzoxazole

2-ethenyl-1,3-benzoxazole

C9H7NO (145.0528)


   

4-methylbenzoyl cyanide

4-methylbenzoyl cyanide

C9H7NO (145.0528)


   

2-Formyl-6-methylbenzonitrile

2-Formyl-6-methylbenzonitrile

C9H7NO (145.0528)


   

indolizine-2-carbaldehyde

indolizine-2-carbaldehyde

C9H7NO (145.0528)


   

2-CYANO-2-PHENYLVINYLALCOHOL

2-CYANO-2-PHENYLVINYLALCOHOL

C9H7NO (145.0528)


   

Benzeneacetonitrile,2-formyl- (9CI)

Benzeneacetonitrile,2-formyl- (9CI)

C9H7NO (145.0528)


   

4-Isoquinolinol

4-Isoquinolinol

C9H7NO (145.0528)


   

Indole-6-carboxaldehyde

Indole-6-carboxaldehyde

C9H7NO (145.0528)


   

2-Phenyloxazole

2-Phenyloxazole

C9H7NO (145.0528)


   

Benzeneacetonitrile, a-(hydroxymethylene)-

Benzeneacetonitrile, a-(hydroxymethylene)-

C9H7NO (145.0528)


   

Isoxazole, 5-phenyl-

Isoxazole, 5-phenyl-

C9H7NO (145.0528)


   

3-Acetylbenzonitrile

3-Acetylbenzonitrile

C9H7NO (145.0528)


   

Benzonitrile,4-formyl-2-methyl-(9CI)

Benzonitrile,4-formyl-2-methyl-(9CI)

C9H7NO (145.0528)


   

Isophthalaldehydonitrile, 5-methyl- (8CI)

Isophthalaldehydonitrile, 5-methyl- (8CI)

C9H7NO (145.0528)


   

P-CYANOACETOPHENONE

4-Acetylbenzonitrile

C9H7NO (145.0528)


   

4-PHENYLISOXAZOLE

4-PHENYLISOXAZOLE

C9H7NO (145.0528)


   

4-PHENYLOXAZOLE

4-PHENYLOXAZOLE

C9H7NO (145.0528)


   

2-Acetylbenzonitrile

2-Acetylbenzonitrile

C9H7NO (145.0528)


   

7-Hydroxyisoquinoline

7-Hydroxyisoquinoline

C9H7NO (145.0528)


   

3-Phenylisoxazole

3-Phenylisoxazole

C9H7NO (145.0528)


   

3-(2-Oxoethyl)benzonitrile

3-(2-Oxoethyl)benzonitrile

C9H7NO (145.0528)


   

3-Isoquinolinol

3-Isoquinolinol

C9H7NO (145.0528)


   

6-Isoquinolinol

6-Isoquinolinol

C9H7NO (145.0528)


   

7-Isoquinolinol

7-Isoquinolinol

C9H7NO (145.0528)


   

Isoquinolin-8-ol

Isoquinolin-8-ol

C9H7NO (145.0528)


   

5-Formyl-2-methylbenzonitrile

5-Formyl-2-methylbenzonitrile

C9H7NO (145.0528)


   

5-Benzofurancarbonitrile,2,3-dihydro-(9CI)

5-Benzofurancarbonitrile,2,3-dihydro-(9CI)

C9H7NO (145.0528)


   

4-formyl-3-methylbenzonitrile

4-formyl-3-methylbenzonitrile

C9H7NO (145.0528)


   

5-Phenyloxazole

5-Phenyl-1,3-oxazole

C9H7NO (145.0528)


   

Benzoylacetonitrile

3-Oxo-3-phenylpropanenitrile

C9H7NO (145.0528)


   

5-Hydroxyquinoline

5-Hydroxyquinoline

C9H7NO (145.0528)


   

indolecarboxaldehyde

indolecarboxaldehyde

C9H7NO (145.0528)


   

Isoquinolin-4-ol

Isoquinolin-4-ol

C9H7NO (145.0528)


   

4-cyanophenylacetaldehyde

4-cyanophenylacetaldehyde

C9H7NO (145.0528)


   

5-Hydroxyisoquinoline

5-Hydroxyisoquinoline

C9H7NO (145.0528)


   

1-Indolizinecarboxaldehyde

1-Indolizinecarboxaldehyde

C9H7NO (145.0528)


   

2-methylbenzoyl cyanide

2-methylbenzoyl cyanide

C9H7NO (145.0528)


   

Quinolin-7-ol

7-Hydroxyquinoline

C9H7NO (145.0528)


   

Isoquinolin-3(4H)-one

Isoquinolin-3(4H)-one

C9H7NO (145.0528)


   

AI3-52407

5-21-08-00246 (Beilstein Handbook Reference)

C9H7NO (145.0528)


Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].

   

Indole-4-carboxaldehyde

1H-Indole-4-carbaldehyde

C9H7NO (145.0528)


   

Nona-2,4,6-triynamide

Nona-2,4,6-triynamide

C9H7NO (145.0528)


   

4-quinolone

4-Hydroxyquinoline

C9H7NO (145.0528)


   

1-Hydroxyisoquinoline

ISOQUINOLIN-1(2H)-ONE

C9H7NO (145.0528)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Quinolin-2(1H)-one

Quinolin-2(1H)-one

C9H7NO (145.0528)


A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.

   

Agrocybin

Agrocybin

C9H7NO (145.0528)


A triyne amide produced by the Brazilian fungus Agrocybe perfecta (Basidiomycota).

   

indole-4-carbaldehyde

indole-4-carbaldehyde

C9H7NO (145.0528)


A heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group.

   

Quinolin-2-ol

Quinolin-2-ol

C9H7NO (145.0528)


A monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline.

   

Methyleneoxindole

Methyleneoxindole

C9H7NO (145.0528)


   

Hydroxyquinoline

Hydroxyquinoline

C9H7NO (145.0528)


   

1H-indole-3-carbonxal-dehyde

NA

C9H7NO (145.0528)


{"Ingredient_id": "HBIN002593","Ingredient_name": "1H-indole-3-carbonxal-dehyde","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CN2)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39629","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-aldehydoindole

NA

C9H7NO (145.0528)


{"Ingredient_id": "HBIN007888","Ingredient_name": "3-aldehydoindole","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CN2)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "874","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

7-isoquinoli-nol

NA

C9H7NO (145.0528)


{"Ingredient_id": "HBIN013300","Ingredient_name": "7-isoquinoli-nol","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC(=CC2=C1C=CN=C2)O","Ingredient_weight": "145.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38623","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "459767","DrugBank_id": "NA"}

   

8 hydroxyquinoline

8 hydroxyquinoline

C9H7NO (145.0528)


   

3-quinolinol

3-quinolinol

C9H7NO (145.0528)


   

1h-indole-7-carbaldehyde

1h-indole-7-carbaldehyde

C9H7NO (145.0528)