Exact Mass: 236.1336

Heptyl 4-hydroxybenzoate

Benzoic acid, 4-hydroxy-, N-heptyl ester

Heptyl 4-hydroxybenzoate, also known as heptylparaben or nipaheptyl, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Heptyl 4-hydroxybenzoate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). Heptyl 4-hydroxybenzoate is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. It is used as a food additive . CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5546; ORIGINAL_PRECURSOR_SCAN_NO 5541 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5537; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5548; ORIGINAL_PRECURSOR_SCAN_NO 5545 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5514; ORIGINAL_PRECURSOR_SCAN_NO 5512 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5539 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5540 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens It is used as a food additive .

Eremopetasidione

3-acetyl-6-hydroxy-4a,5-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one

Eremopetasidione is found in green vegetables. Eremopetasidione is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasidione is found in green vegetables.

Oxyglutinosone

3,4a-dihydroxy-4-methyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one

Oxyglutinosone is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Oxyglutinosone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Oxyglutinosone can be found in potato, which makes oxyglutinosone a potential biomarker for the consumption of this food product.

Placidene D

(+)-Placidene D

Oxyglutinosone

[3R-(3alpha,4beta,4abeta,6alpha)]-4,4a,5,6,7,8-Hexahydro-3,4a-dihydroxy-4-methyl-6-(1-methylethenyl)-2(3H)-naphthalenone

Norsecoswartzianin

Montiporic acid A

Cardozin

n-Butyl-beta-D-fructopyranoside

9beta-hydroxy-8-oxo-12-noreremophil-6-en-11-one|rel-(1R,4aS,5S)-3-acetyl-4a,5,6,7,8,8a-hexahydro-1-hydroxy-4a,5-dimethylnaphthalen-2(1H)-one

13-nor-4,11-dioxo-7-hydroxybisabol-2,9E-diene

oblongolide Q

6alpha-acetyl-4beta,5beta-dimethyl-1(10)-ene-2alpha-hydroxy-7-oxodecalin|laevinol E

1-epi-inuviscolide

Appenolide A

12-oxo-11-nordrim-8-en-14-oic acid

SCHEMBL18924113

n-Butyl |A-D-fructofuranoside

Cuspidiol

aplysiopsene D

MEGxm0_000489

4-(1-hydroxy-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl)but-3-en-2-one

3,7-dioxodrim-8-en-11-ol|kairatene

n-Butyl-|A-D-fructopyranoside

(1beta,11?鈥?-form-1,11-Dihydroxy-13-nor-6,9-eremophiladien-8-one|1beta-hydroxy-6,9-diene-8-oxo-11-nor-11-hydroxyeremophilane

C14H20O3

Ceratenolone

Sulcatine F

C10H20O6

1-(3-(1-Hydroxy-3-methylbutyl)-4-methoxyphenyl)ethan-1-one

(3aR,5aR,7S,9aS,9bR)-3a,5a,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethhylnaphtho[1,2-c]furan-1(3H)-one|(?)-oblongolide C|oblongolide C

xeromphalinone C

SCHEMBL16941585

3beta,4alpha,9-trihydroxy-14-norcadina-5,7,9-triene|oxyphyllenotriol A

flavalin I

1,5-epidioxy-14-norcarot-2-en-3-one|1,5-epidioxy-14-norcarot-2-en-4-one

1beta-hydroxyl-2-noreudesm-4(15)-en-5alpha,6beta,7alpha,11alphaH-12,6-olide|ajaniaolide A

11beta-hydroxyl-3-oxo-4(5),6(7)-diene-eudesman-12-ol

Alcyopterosin A

C15H21Cl (236.1332)

(S)-dihydrodemethoxywutaiensol|3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]propan-1-ol

sinularone C

oxyphyllone A

ganosinensine

(?)-(4S,8S)-foedanolide|sinularone D

(3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman

epoxyeudesm-11(13)-en-12-oic acid

SCHEMBL14452068

(5R,7S,10S)-5-hydroxy-13-noreudesma-3-en-2,11-dione

nemoralisins D

oxyphyllone E

Sterostrein L

Inuviscolide

d-Glucose, 2,3,4,6-tetra-O-methyl-

2-(4-methoxyphenyl)-ethylisovalerate|2-<4-methoxyphenyl>-ethylisovalerate

6alpha-hxdroxyoblongolide A|oblongolide O

(3aS,5aR,7S,9aS,9bR)-7-(hydroxymethyl)-9b-methyl-3a,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(9bH)-one|oblongolide F

9-oxo-tephyllone

2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-

Gyrinidione

5-Angelyloxycarvotagetone

(E)-form-12-Tetradecene-8,10-diyne-1,3,14-triol,|Tetradeca-2t-en-4,6-diin-1,12,14-triol

tetradeca-4E,8E,12E-triene-10-yne-1,6,7-triol

12-Tetradecene-8,10-diyne-1,4,5-triol|tetradeca-12t-ene-8,10-diyne-1,4,5-triol

(3aS,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-7-hydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide D

DTXSID80831112

4-Oxo-15-nor-costic acid

(1S,2R)-form-1-(4-Hydroxyphenyl)-1,2-propanediol

1-n-butyl-1beta-D-fructopyranoside|1-O-butyl-beta-D-fructopyranoside

(1S,6R)-2,7(14),10-bisabolatrien-1-ol-4-one

(E)-form-6-Tetradecene-8,10-diyne-1,5,12-triol|tetradec-6t-ene-8,10-diyne-1,5,12-triol|Tetradec-trans-6-en-8.10-diin-1.5.12-triol

1-[3-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]ethanone

1-[3-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]ethan-1-one

Butyl fructofuranoside

(2R,3S,4S,5R)-2-Butoxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol

Butyl fructofuranoside is a natural product found in Ophiopogon japonicus, Dioscorea japonica, and Cynomorium songaricum with data available.

Eremopetasidione

3-acetyl-6-hydroxy-4a,5-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one

12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one

FA 14:4;O

12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one

Albanitrile F

Hexadeca-6,8,10-triynedinitrile

2,6-bis(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile

3-(N-benzylanilino)propanenitrile

3-Hydroxyadamantan-1-yl methacrylate

2-[4-(TERT-BUTYL)PHENOXY]-2-METHYLPROPANOIC ACID

2-(2-phenyl-1H-indol-3-yl)ethanamine

Thiourea,N-hexyl-N-phenyl-

C13H20N2S (236.1347)

2-(3-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

tris(2-methoxyethyl)borate

C9H21BO6 (236.1431)

ETHYL 2-(PIPERAZIN-1-YL)PYRIMIDINE-5-CARBOXYLATE

tert-butyl 2-methylpiperazine-1-carboxylate,hydrochloride

N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide

tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

1-(2,4-DIMETHYLBENZYL)HYDRAZINE

(+/-)-2-(AMINOMETHYL)-1-N-BOC-PYRROLIDINE-HCl

TERT-BUTYL 3-(AMINOMETHYL)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE

4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID METHYL ESTER

(11R,12R)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIAMINE

(R)-1-BOC-2-METHYLPIPERAZINE HYDROCHLORIDE

(S)-N-Cbz-2-deuteropropylglycinal

C13H16DNO3 (236.1271)

2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid

5,6,7,8-TETRAHYDRO-3H-SPIRO[CYCLOHEXANE-1,4-QUINAZOLINE]-2-THIOL

C13H20N2S (236.1347)

3-(Boc-amino)piperidine hydrochloride

tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

C10H18F2N2O2 (236.1336)

tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate

C10H18F2N2O2 (236.1336)

14-HYDROXY-10,12-TETRADECADIYNOIC ACID

(S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL

(S)-TERT-BUTYL 3-(METHYLAMINO)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE

2-MethoxypyriMidine-5-boronic acid pinacol ester

(2R,3R,5S,6S)-5,6-Bis(hydroxyMethyl)-2,3-diMethoxy-2,3-diMethyl-1,4-dioxane

(R)-3-(3-FLUOROPHENYL)-BETA-ALANINE

N1,N2-Dibenzylideneethane-1,2-diamine

4-METHOXY-2,5-DIMETHYL-BENZENESULFONYL CHLORIDE

1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-3-CARBOXALDEHYDE

Butyl beta-D-glucopyranoside

tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate hydrochloride

tert-Butyl (3-aminocyclopentyl)carbamate hydrochloride

Hexanedioic acid, polymer with 1,3-butanediol

1-Pyrrolidinecarboxylic acid, 4-amino-2-(difluoromethyl)-, 1,1-d

C10H18F2N2O2 (236.1336)

4-(4-Hydroxyphenyl)-2-methylpentan-2-ylcarbamate

C13H18NO3- (236.1287)

7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C13H17FN2O (236.1325)

Kondensationsprodukte von Dicarbonsuren mit mehrwertigen aliphatischen Alkoholen verestert

poly(1,4-butylene adipate)

N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide

C13H17FN2O (236.1325)

1,7-Dimethyl-3-isobutylxanthine

(2S,3S,5R,6R)-5,6-Bis(hydroxyMethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

(R)-3-(Boc-amino)piperidine hydrochloride

4-(4-TERT-BUTYL-PHENOXY)-BUTYRIC ACID

D-Glucopyranose,2,3,4,6-tetra-O-methyl-

2-Fluorobenzylboronic acid pinacol ester

3-(4-tert-Butoxyphenyl)butyric acid

N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide,hydrochloride

2-HYDROXYMETHYL-2,5,7,8-TETRAMETHYLCHROMAN-6-OL

Isbufylline

ALLYL 6-AMINOHEXYLCARBAMATE

5-(4-Methylpiperazin-1-yl)-2-nitroaniline

(9R,10R,11S,12S)-9,10-dihydro-9,10-ethanoanthracene-11,12-diamine

4-hydroxyphenyl octanoate

6-(CHLOROMETHYL)-1,1,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE

C15H21Cl (236.1332)

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-ethanone

(+/-)-3-AMINO-1-N-BOC-PIPERIDINE-citrate

(R)-(2-Aminomethyl)-1-N-Boc-pyrrolidine HCl

R-2-(BOC-AMINOMETHYL)PYRROLIDINE-HCl

(R)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride

(S)-tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride

(S)-tert-Butyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride

(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride

1,1,1-TRIFLUORO-11-DODECENE-2-ONE

C12H19F3O (236.1388)

4-Fluorobenzylboronic acid pinacol ester

3,4,7,8-Tetramethyl-1,10-phenanthroline

4-hexoxy-3-methoxybenzaldehyde

2-(BOC-AMINOMETHYL)PYRROLIDINE-HCl

N-[4-(hydrazinecarbonyl)pyridin-2-yl]-2,2-dimethylpropanamide

6-Methoxypyrazine-2-boronic acid pinacol ester

(3-((2-(DIMETHYLAMINO)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID

1-((2-(2-methoxyethoxy)ethoxy)methyl)-4-vinylbenzene

8-(2-Acetyloxiran-2-yl)-6,6-dimethylocta-3,4-dien-2-one

2-Fluoro-4-methylphenylboronic acid pinacol ester

tert-Butyl ((3-methylazetidin-3-yl)methyl)carbamate hydrochloride

(R)-Methyl 5-(benzyloxy)-4-Methylpentanoate

alpha-Oxotricyclo[3.3.1.1(3,7)]decane-1-acetic acid ethyl ester

4-Amino-1-piperidinecarboxylic acid tert-butyl ester hydrochloride

butyl-alpha-d-glucopyranoside

1-Boc-4-Aminopiperidine hydrochloride

5,6,7,8-TETRAHYDROSPIRO[3,1-BENZOTHIAZINE-4,1-CYCLOHEXAN]-2-AMINE

C13H20N2S (236.1347)

1,4]DIAZEPANE-1-CARBOXYLIC ACIDTERT-BUTYL ESTERHYDROCHLORIDE

4-Fluoro-2-methylphenylboronic acid pinacol ester

2-(4-methylpiperazin-1-yl)-5-nitroaniline

Ethanone, 1-phenyl-,2-(1-phenylethylidene)hydrazone

2-Benzyl-5-aminomethylindole

alpha-D-Glucopyranoside, methyl 2,3,6-tri-O-methyl-

Methyl-3,4,6-tri-O-methylmannoside

3-(Heptyloxy)benzoic Acid

3,4a-Dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Decylsulfamate

C10H22NO3S- (236.132)

An organic sulfamate oxoanion that is the conjugate base of decylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.

4-Hydroxy-6-(non-8-en-1-yl)-pyran-2-one

(8-Methylnonyl)sulfamate

C10H22NO3S- (236.132)

An organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.

Bis(3-methylbenzylidene)hydrazine

Tris(ethylenediamine)iron(3+)

C6H24FeN6+3 (236.1412)

(2R/S)-2-[4-(2-Hydroxy-2-methylpropyl)-phenyl]-propionic acid methyl ester

6-Chloromethyl-1,1,2,3,3-pentamethylindane

C15H21Cl (236.1332)

Heptylparaben

Heptyl 4-hydroxybenzoate

D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens

Hydroxytetradecatetraenoic acid

Cyclo(His-Val)

Mopivabil

Mopivabil is the antagonist of angiotensin II receptor[1].

[(2s)-2-[4-methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methanol

(4r,5ar,8r,8as)-8-hydroxy-4,7,7-trimethyl-3h,4h,5h,5ah,6h,8h,8ah-indeno[4,5-c]furan-1-one

(4s,5s)-4-hydroxy-2-methyl-5-(5-methylhex-4-enoyl)cyclohex-2-en-1-one

8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

(dodeca-2,4-diyn-1-yloxy)acetic acid

(3as,5ar,7r,8r,9as,9br)-8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

2a,4-dihydroxy-3,6,7b-trimethyl-1h,2h,3h,4h,5h,6h-cyclobuta[e]inden-7-one

lysergene

(5r,5as,7s,9as,9br)-5-hydroxy-7,9b-dimethyl-3h,5h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

tetradec-12-en-8,10-diyne-1,3,14-triol

7-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

7-(hydroxymethyl)-9b-methyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

(5r,6r)-6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione

3-methyl-4-(8-oxonon-1-en-1-yl)-5h-furan-2-one

4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-en-1-ol

(4as)-7-[(2s)-1,2-dihydroxypropan-2-yl]-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one

5-acetyl-4,4a-dimethyl-hexahydro-1ah-naphtho[4,4a-b]oxiren-6-one

(3ar,5ar,7s,9as,9br)-3a-hydroxy-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

(3as,5ar,7r,8s,9as,9br)-8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one

(2r)-2-[(1e,5r)-5-hydroxyhex-1-en-1-yl]-2-methyl-5-[(1e)-prop-1-en-1-yl]furan-3-one

1-acetyl-6-hydroxy-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one

3(10)-Caren-4-ol, acetoacetic acid ester

{"Ingredient_id": "HBIN006892","Ingredient_name": "3(10)-Caren-4-ol, acetoacetic acid ester","Alias": "NA","Ingredient_formula": "C14H20O3","Ingredient_Smile": "CC(=O)CC(=O)OC1CC2C(C2(C)C)CC1=C","Ingredient_weight": "236.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40809","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538448","DrugBank_id": "NA"}

ailanthoidiol

{"Ingredient_id": "HBIN014940","Ingredient_name": "ailanthoidiol","Alias": "NA","Ingredient_formula": "C14H20O3","Ingredient_Smile": "CC(CCOC1=CC=C(C=C1)C=CCO)CO","Ingredient_weight": "236.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316925","DrugBank_id": "NA"}

β-n-butyl-d-tagatopyranoside