Exact Mass: 236.1412

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

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

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

(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

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

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

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

(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

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

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)

1-(2,4-DIMETHYLBENZYL)HYDRAZINE

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

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

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)

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

C10H18F2N2O2 (236.1336)

Melatonin D5

C13H12D4N2O2 (236.1463)

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

2-MethoxypyriMidine-5-boronic acid pinacol ester

(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

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

C10H18F2N2O2 (236.1336)

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

C13H17FN2O (236.1325)

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

C13H17FN2O (236.1325)

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

2-Fluorobenzylboronic acid pinacol ester

3-(4-tert-Butoxyphenyl)butyric acid

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

(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

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

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

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

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

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

C13H20N2S (236.1347)

4-Fluoro-2-methylphenylboronic acid pinacol ester

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

2-Benzyl-5-aminomethylindole

2,2-Dimethyl-3,6,9,12-tetraoxa-2-silatridecane

C10H24O4Si (236.1444)

3-(Heptyloxy)benzoic Acid

(13aS)-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium

C17H18N+ (236.1439)

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

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