Exact Mass: 246.1566

Exact Mass Matches: 246.1566

Found 155 metabolites which its exact mass value is equals to given mass value 246.1566, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

geranylhydroquinone

geranylhydroquinone

C16H22O2 (246.162)


   

3-Geranylcatechol

3-Geranylcatechol

C16H22O2 (246.162)


   

4-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol

4-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol

C16H22O2 (246.162)


   

3-Hydroxydodecanedioic acid

3-HYDROXYDODECANEDIOIC ACID

C12H22O5 (246.1467)


3-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders. Peroxisomal biogenesis disorders (PBDs) are characterized by generalized peroxisomal dysfunction due to defective assembly of the organelle and include the Zellweger, neonatal adrenoleukodystrophy and infantile Refsum phenotypes (PMID 10896310) [HMDB] 3-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders. Peroxisomal biogenesis disorders (PBDs) are characterized by generalized peroxisomal dysfunction due to defective assembly of the organelle and include the Zellweger, neonatal adrenoleukodystrophy and infantile Refsum phenotypes (PMID 10896310).

   

Dibutyl malate

Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester

C12H22O5 (246.1467)


Dibutyl malate is found in fruits. Dibutyl malate is isolated from tamarind fruits (Tamarindus indica

   

alpha-Amylcinnamyl acetate

(2Z)-2-(Phenylmethylidene)heptyl acetic acid

C16H22O2 (246.162)


alpha-Amylcinnamyl acetate is a flavouring ingredien Flavouring ingredient

   

Heptyl cinnamate

2-Propenoic acid, 3-phenyl-, heptyl ester

C16H22O2 (246.162)


Heptyl cinnamate is a flavouring ingredient. Flavouring ingredient

   

(S)-3-Methylthiohexyl hexanoate

3-(Methylsulphanyl)hexyl hexanoic acid

C13H26O2S (246.1653)


(S)-3-Methylthiohexyl hexanoate is found in fruits. (S)-3-Methylthiohexyl hexanoate is a constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). Constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). (S)-3-Methylthiohexyl hexanoate is found in fruits.

   

Demethoxyshogaol

(4E)-1-(4-hydroxyphenyl)dec-4-en-3-one

C16H22O2 (246.162)


Demethoxyshogaol is found in herbs and spices. Demethoxyshogaol is a constituent of ginger (Zingiber officinale). Constituent of ginger (Zingiber officinale). Demethoxyshogaol is found in herbs and spices.

   

Methyl nidorellaurinate

Methyl nidorellaurinate

C16H22O2 (246.162)


   

(-)-Methyl asperageigerate

(-)-Methyl asperageigerate

C16H22O2 (246.162)


   

cis-Hexadec-11-en-7,9-diynoic acid

cis-Hexadec-11-en-7,9-diynoic acid

C16H22O2 (246.162)


   

6-Methoxyprimnatrienone

6-Methoxyprimnatrienone

C16H22O2 (246.162)


   

Gloeophyllol B

Gloeophyllol B

C16H22O2 (246.162)


   

3-Methoxy-8-calamenenone

(1S,4R)-7-Methoxycalamenen-3-one

C16H22O2 (246.162)


   

ZINC4323330

ZINC4323330

C12H18N6 (246.1593)


   

Undecylthioacetic acid

(undecylthio)-acetic acid

C13H26O2S (246.1653)


CONFIDENCE standard compound; INTERNAL_ID 154; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5206; ORIGINAL_PRECURSOR_SCAN_NO 5201 CONFIDENCE standard compound; INTERNAL_ID 154; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5209; ORIGINAL_PRECURSOR_SCAN_NO 5205 CONFIDENCE standard compound; INTERNAL_ID 154; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5186; ORIGINAL_PRECURSOR_SCAN_NO 5184 CONFIDENCE standard compound; INTERNAL_ID 154; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5187; ORIGINAL_PRECURSOR_SCAN_NO 5185 CONFIDENCE standard compound; INTERNAL_ID 154; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5196

   

Chamaecyneolacetat

Chamaecyneolacetat

C16H22O2 (246.162)


   

Sporochnol C

Sporochnol C

C16H22O2 (246.162)


   
   

Argentone

Argentone

C16H22O2 (246.162)


   

Pathenolide

Pathenolide

C16H22O2 (246.162)


   

SCHEMBL13181985

SCHEMBL13181985

C12H22O5 (246.1467)


   

Pterosin I

Pterosin I

C16H22O2 (246.162)


   

CHEMBL149361

CHEMBL149361

C16H22O2 (246.162)


   

2-methoxyfuranodiene|8??-Methoxyfuranodiene|methoxyfuranodiene

2-methoxyfuranodiene|8??-Methoxyfuranodiene|methoxyfuranodiene

C16H22O2 (246.162)


   

Comosusol C

Comosusol C

C16H22O2 (246.162)


A natural product found in Sporochnus comosus.

   

6alpha,15beta-epoxyeremophila-7(11)-en-8alpha,12-olide

6alpha,15beta-epoxyeremophila-7(11)-en-8alpha,12-olide

C16H22O2 (246.162)


   

(1R*,2R*,4R*,7R*,12R*)-8-methylenetetracyclo[5.3.2.0(2,4).0(4,12)]dodec-2-ylacetic acid methyl ester|chinopine B

(1R*,2R*,4R*,7R*,12R*)-8-methylenetetracyclo[5.3.2.0(2,4).0(4,12)]dodec-2-ylacetic acid methyl ester|chinopine B

C16H22O2 (246.162)


   

Mioporosidegenin

Mioporosidegenin

C12H22O5 (246.1467)


   

4-isopropyl-6-methoxy-2,2,7-trimethylindan-1-one

4-isopropyl-6-methoxy-2,2,7-trimethylindan-1-one

C16H22O2 (246.162)


   

Sporochnol B

Sporochnol B

C16H22O2 (246.162)


   

(-)-(R)-(ar)-curcumen-12-oic acid methyl ester|(R)-Methyl curcumenoate

(-)-(R)-(ar)-curcumen-12-oic acid methyl ester|(R)-Methyl curcumenoate

C16H22O2 (246.162)


   

4-hydroxy-15-hexadecene-5,7-diynyl-2-one|homomontiporyne J

4-hydroxy-15-hexadecene-5,7-diynyl-2-one|homomontiporyne J

C16H22O2 (246.162)


   
   
   

12-METHOXY-4,4-BISNOR-5α-8,11,13-PODOCARPATRIEN-3-OL

12-METHOXY-4,4-BISNOR-5α-8,11,13-PODOCARPATRIEN-3-OL

C16H22O2 (246.162)


   

4-[5]-ladderane-butanoic acid

4-[5]-ladderane-butanoic acid

C16H22O2 (246.162)


   

3-HYDROXYDODECANEDIOIC ACID

3-HYDROXYDODECANEDIOIC ACID

C12H22O5 (246.1467)


   

3-hydroxy-dodecanedioic acid

3-hydroxy-dodecanedioic acid

C12H22O5 (246.1467)


   

Dibutyl malate

Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester

C12H22O5 (246.1467)


   

FEMA 2064

1-Heptanol, 2-(phenylmethylene)-, 1-acetate

C16H22O2 (246.162)


   

heptyl cinnamate

2-Propenoic acid, 3-phenyl-, heptyl ester

C16H22O2 (246.162)


   

(S)-3-Methylthiohexyl hexanoate

3-(methylsulfanyl)hexyl hexanoate

C13H26O2S (246.1653)


   

Demethoxyshogaol

(4E)-1-(4-hydroxyphenyl)dec-4-en-3-one

C16H22O2 (246.162)


   

FA 16:5

(4Z,7Z,9E,11E,13Z)-hexadeca-(4,7,9,11,13)-pentaenoic acid

C16H22O2 (246.162)


   

FA 12:1;O3

3-hydroxy-dodecanedioic acid

C12H22O5 (246.1467)


   

ascr#2

(-)-5R-(3R,5R-dihydroxy-6S-methyl-(2H)-tetrahydropyran-2???-yloxy)-2-hexanone

C12H22O5 (246.1467)


A hydroxy ketone ascaroside obtained by formal condensation of the hydroxy group of (5R)-5-hydroxyhexan-2-one with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#3, ascr#4, and ascr#8 in male attraction. Ascr#2 is an ascaroside isolated from Caenorhabditis elegans, potently promotes dauer formation, and also acts as a potent male attractant combined with ascr#3 at low concentration[1].

   

6-[tert-butyl(dimethyl)silyl]oxyhexanoic acid

6-[tert-butyl(dimethyl)silyl]oxyhexanoic acid

C12H26O3Si (246.1651)


   

Mexoprofen

Mexoprofen

C16H22O2 (246.162)


   
   

2,2-(((OXYBIS(PROPANE-2,1-DIYL))BIS(OXY))BIS(METHYLENE))BIS(OXIRANE)

2,2-(((OXYBIS(PROPANE-2,1-DIYL))BIS(OXY))BIS(METHYLENE))BIS(OXIRANE)

C12H22O5 (246.1467)


   
   

N-Cyclohexyl-4-piperidinecarboxamide hydrochloride

N-Cyclohexyl-4-piperidinecarboxamide hydrochloride

C12H23ClN2O (246.1499)


   

(4-Methylpiperidin-1-yl)(piperidin-4-yl)methanone hydrochloride

(4-Methylpiperidin-1-yl)(piperidin-4-yl)methanone hydrochloride

C12H23ClN2O (246.1499)


   

butyl 2-methylprop-2-enoate,styrene

butyl 2-methylprop-2-enoate,styrene

C16H22O2 (246.162)


   

1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile

1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile

C13H19BN2O2 (246.154)


   

2-AMINO-5-CHLOROBENZOICACID

2-AMINO-5-CHLOROBENZOICACID

C12H23ClN2O (246.1499)


   

1-Phenyl-1,3-decanedione

1-Phenyl-1,3-decanedione

C16H22O2 (246.162)


   

2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)ethanone

2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)ethanone

C16H22O2 (246.162)


   

2,4-diamino-6,7-diisopropylpteridine

2,4-diamino-6,7-diisopropylpteridine

C12H18N6 (246.1593)


   

Di-Tert-Amyl Dicarbonate

Di-Tert-Amyl Dicarbonate

C12H22O5 (246.1467)


   

cyclohexyl(triethoxy)silane

cyclohexyl(triethoxy)silane

C12H26O3Si (246.1651)


   

Cyclohexanol,1,1-(1,3-butadiyne-1,4-diyl)bis-

Cyclohexanol,1,1-(1,3-butadiyne-1,4-diyl)bis-

C16H22O2 (246.162)


   

4-Ethyl-1-phenyl-1,3-octanedione

4-Ethyl-1-phenyl-1,3-octanedione

C16H22O2 (246.162)


   

H-D-Lys(Boc)-OH

H-D-Lys(Boc)-OH

C11H22N2O4 (246.1579)


   

TETRA(ETHYLENE GLYCOL) DIVINYL

TETRA(ETHYLENE GLYCOL) DIVINYL

C12H22O5 (246.1467)


   
   

2-(1-adamantyl)-6-amino-1H-1,3,5-triazin-4-one

2-(1-adamantyl)-6-amino-1H-1,3,5-triazin-4-one

C13H18N4O (246.1481)


   

1-[(1-Hydroperoxycyclohexyl)peroxy]cyclohexanol

1-[(1-Hydroperoxycyclohexyl)peroxy]cyclohexanol

C12H22O5 (246.1467)


   

(E)-1-(1-PHENYLPROP-1-EN-2-YL)CYCLOPROPANAMINE

(E)-1-(1-PHENYLPROP-1-EN-2-YL)CYCLOPROPANAMINE

C16H22O2 (246.162)


   

1-Phenyldecane-1,3-dione

1-Phenyldecane-1,3-dione

C16H22O2 (246.162)


   

Ne-Boc-L-lysine

Ne-Boc-L-lysine

C11H22N2O4 (246.1579)


   

ethyl [2-(boc-amino)ethylamino]acetate hydrochloride

ethyl [2-(boc-amino)ethylamino]acetate hydrochloride

C11H22N2O4 (246.1579)


   

2-[2-(2-ethoxyethoxy)ethoxy]ethyl methacrylate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl methacrylate

C12H22O5 (246.1467)


   

1,5-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile

1,5-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile

C13H19BN2O2 (246.154)


   

2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C13H19BN2O2 (246.154)


   

2-(4-CYCLOHEXYLPHENYL)ACETIC ACID ETHYL ESTER

2-(4-CYCLOHEXYLPHENYL)ACETIC ACID ETHYL ESTER

C16H22O2 (246.162)


   

Chloro(dimethyl)10-undecen-1-ylsilane

Chloro(dimethyl)10-undecen-1-ylsilane

C13H27ClSi (246.157)


   

(4-METHYLPHENYL)DIPHENYLSULFONIUMTRIFLUOROMETHANESULFONATE

(4-METHYLPHENYL)DIPHENYLSULFONIUMTRIFLUOROMETHANESULFONATE

C12H23ClN2O (246.1499)


   

Z-D-Lys(Boc)-OH

Z-D-Lys(Boc)-OH

C11H22N2O4 (246.1579)


   

1-CYCLOHEXYL-3-ETHYL-6-FLUORO-1H-INDAZOLE

1-CYCLOHEXYL-3-ETHYL-6-FLUORO-1H-INDAZOLE

C15H19FN2 (246.1532)


   

trimethyl-(3-methyl-1-trimethylsilyloxybut-1-enoxy)silane

trimethyl-(3-methyl-1-trimethylsilyloxybut-1-enoxy)silane

C11H26O2Si2 (246.1471)


   

(1-(4-MORPHOLINYL)PROPYL)BENZOTRIAZOLE

(1-(4-MORPHOLINYL)PROPYL)BENZOTRIAZOLE

C13H18N4O (246.1481)


   

(2H10)-5H-Dibenzo[b,f]azepine-5-carboxamide

(2H10)-5H-Dibenzo[b,f]azepine-5-carboxamide

C15H2D10N2O (246.1577)


   

4-(trans-4-Propylcyclohexyl)benzoic acid

4-(trans-4-Propylcyclohexyl)benzoic acid

C16H22O2 (246.162)


   

ethyl 2-(4-phenylcyclohexyl)acetate

ethyl 2-(4-phenylcyclohexyl)acetate

C16H22O2 (246.162)


   

1-Amino-6-cyclohex-3-enylmethyloxypurine

1-Amino-6-cyclohex-3-enylmethyloxypurine

C13H18N4O (246.1481)


   

Geroquinol

geranylhydroquinone

C16H22O2 (246.162)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

   

N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester

N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester

C11H22N2O4 (246.1579)


   

N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C13H18N4O (246.1481)


   

beta-alanyl-L-argininium

beta-alanyl-L-argininium

C9H20N5O3+ (246.1566)


   

Amyl cinnamyl acetate

Amyl cinnamyl acetate

C16H22O2 (246.162)


   

Ethyl 5-trimethylsilyloxy-5-methylhexanoate

Ethyl 5-trimethylsilyloxy-5-methylhexanoate

C12H26O3Si (246.1651)


   

Ethyl 2-ethyl-3-trimethylsilyloxyvalerate

Ethyl 2-ethyl-3-trimethylsilyloxyvalerate

C12H26O3Si (246.1651)


   

(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoic acid

(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoic acid

C16H22O2 (246.162)


   

15-Methoxybicyclo(8.3.2)pentadeca-1(13),10(15),11-trien-14-one

15-Methoxybicyclo(8.3.2)pentadeca-1(13),10(15),11-trien-14-one

C16H22O2 (246.162)


   

(1-Acetyloxy-3-hydroxypropan-2-yl) heptanoate

(1-Acetyloxy-3-hydroxypropan-2-yl) heptanoate

C12H22O5 (246.1467)


   

(1-Hydroxy-3-propanoyloxypropan-2-yl) hexanoate

(1-Hydroxy-3-propanoyloxypropan-2-yl) hexanoate

C12H22O5 (246.1467)


   

(1-Butanoyloxy-3-hydroxypropan-2-yl) pentanoate

(1-Butanoyloxy-3-hydroxypropan-2-yl) pentanoate

C12H22O5 (246.1467)


   

(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoic acid

(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoic acid

C16H22O2 (246.162)


   

alpha-Amylcinnamyl acetate

alpha-Amylcinnamyl acetate

C16H22O2 (246.162)


   

ascaroside C6

ascaroside C6

C12H22O5 (246.1467)


Ascr#2 is an ascaroside isolated from Caenorhabditis elegans, potently promotes dauer formation, and also acts as a potent male attractant combined with ascr#3 at low concentration[1].

   

11Z-Hexadecen-7,9-diynoic acid

11Z-Hexadecen-7,9-diynoic acid

C16H22O2 (246.162)


   

Hydroxydodecanedioic acid

Hydroxydodecanedioic acid

C12H22O5 (246.1467)


   

8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol

8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol

C16H22O2 (246.162)


   

4-(6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl)phenol

4-(6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl)phenol

C16H22O2 (246.162)


   

2-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,4-diol

2-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,4-diol

C16H22O2 (246.162)


   

hexadec-11-en-7,9-diynoic acid

hexadec-11-en-7,9-diynoic acid

C16H22O2 (246.162)


   

2-methoxy-4,7-dimethyl-2-(2-methylprop-1-en-1-yl)-3,4-dihydro-1-benzopyran

2-methoxy-4,7-dimethyl-2-(2-methylprop-1-en-1-yl)-3,4-dihydro-1-benzopyran

C16H22O2 (246.162)


   

methyl (2e)-5-(4-isopropylphenyl)-2-methylpent-2-enoate

methyl (2e)-5-(4-isopropylphenyl)-2-methylpent-2-enoate

C16H22O2 (246.162)


   

4-[(3s)-6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl]phenol

4-[(3s)-6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl]phenol

C16H22O2 (246.162)


   

2-methoxyfuranodiene

8alpha-Methoxyfuranodiene

C16H22O2 (246.162)


{"Ingredient_id": "HBIN005911","Ingredient_name": "2-methoxyfuranodiene","Alias": "8alpha-Methoxyfuranodiene","Ingredient_formula": "C16H22O2","Ingredient_Smile": "CC1=CCC2=C(CC(=CC(C1)OC)C)OC=C2C","Ingredient_weight": "246.34 g/mol","OB_score": "53.58213324","CAS_id": "NA","SymMap_id": "SMIT03628","TCMID_id": "NA","TCMSP_id": "MOL001160","TCM_ID_id": "NA","PubChem_id": "6325622","DrugBank_id": "NA"}

   

2-(phenylmethylene)heptanol

NA

C16H22O2 (246.162)


{"Ingredient_id": "HBIN006321","Ingredient_name": "2-(phenylmethylene)heptanol","Alias": "NA","Ingredient_formula": "C16H22O2","Ingredient_Smile": "CCCCCC(=CC1=CC=CC=C1)COC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36549","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

8α-methoxyfuranodiene

SCHEMBL17793867; AC1O3DN8; (5E,9E)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 2-Methoxyfuranodiene; 8alpha-methoxyfuranodiene; NWLNPDFDTSFGEU-SSQAHJBYSA-N

C16H22O2 (246.162)


{"Ingredient_id": "HBIN013635","Ingredient_name": "8\u03b1-methoxyfuranodiene","Alias": "SCHEMBL17793867; AC1O3DN8; (5E,9E)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 2-Methoxyfuranodiene; 8alpha-methoxyfuranodiene; NWLNPDFDTSFGEU-SSQAHJBYSA-N","Ingredient_formula": "C16H22O2","Ingredient_Smile": "CC1=CCC2=C(CC(=CC(C1)OC)C)OC=C2C","Ingredient_weight": "246.34 g/mol","OB_score": "29.72555692","CAS_id": "NA","SymMap_id": "SMIT00445;SMIT19342","TCMID_id": "31541;13925","TCMSP_id": "MOL001169","TCM_ID_id": "NA","PubChem_id": "6325622","DrugBank_id": "NA"}

   

(1z)-2-[(1s)-1-carboxy-2-hydroxyethyl]-1-octyldiazen-1-ium-1-olate

(1z)-2-[(1s)-1-carboxy-2-hydroxyethyl]-1-octyldiazen-1-ium-1-olate

C11H22N2O4 (246.1579)


   

2-[(3-amino-1,2-dihydroxy-4-methylpentylidene)amino]-3-methylbutanoic acid

2-[(3-amino-1,2-dihydroxy-4-methylpentylidene)amino]-3-methylbutanoic acid

C11H22N2O4 (246.1579)


   

(2ar,5ar,6as,9br,9cr)-9,9c-dimethyl-1h,2h,2ah,3h,4h,5h,5ah,6h,6ah,9bh-acenaphthyleno[4,3-b]furan-8-one

(2ar,5ar,6as,9br,9cr)-9,9c-dimethyl-1h,2h,2ah,3h,4h,5h,5ah,6h,6ah,9bh-acenaphthyleno[4,3-b]furan-8-one

C16H22O2 (246.162)


   

methyl 2-{4,6b-dimethyl-1h,1ah,2h,3h,3ah,4h,5h-cyclopropa[e]inden-2-yl}prop-2-enoate

methyl 2-{4,6b-dimethyl-1h,1ah,2h,3h,3ah,4h,5h-cyclopropa[e]inden-2-yl}prop-2-enoate

C16H22O2 (246.162)


   

9,9c-dimethyl-1h,2h,2ah,3h,4h,5h,5ah,6h,6ah,9bh-acenaphthyleno[4,3-b]furan-8-one

9,9c-dimethyl-1h,2h,2ah,3h,4h,5h,5ah,6h,6ah,9bh-acenaphthyleno[4,3-b]furan-8-one

C16H22O2 (246.162)


   

(3ar,4ar,8ar,9ar)-8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol

(3ar,4ar,8ar,9ar)-8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol

C16H22O2 (246.162)


   

4-[(3s)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl]phenol

4-[(3s)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl]phenol

C16H22O2 (246.162)


   

4-[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl]phenol

4-[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl]phenol

C16H22O2 (246.162)


   

7-isopropyl-3-methoxy-1,4a-dimethyl-5,6-dihydronaphthalen-2-one

7-isopropyl-3-methoxy-1,4a-dimethyl-5,6-dihydronaphthalen-2-one

C16H22O2 (246.162)


   

(5z,8z,11z,14z,16s)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one

(5z,8z,11z,14z,16s)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one

C16H22O2 (246.162)


   

(1-carboxy-2-hydroxyethyl)(octyl-oxo-λ⁵-azanylidene)amine

(1-carboxy-2-hydroxyethyl)(octyl-oxo-λ⁵-azanylidene)amine

C11H22N2O4 (246.1579)


   

(2r,4r)-2-methoxy-4,7-dimethyl-2-(2-methylprop-1-en-1-yl)-3,4-dihydro-1-benzopyran

(2r,4r)-2-methoxy-4,7-dimethyl-2-(2-methylprop-1-en-1-yl)-3,4-dihydro-1-benzopyran

C16H22O2 (246.162)


   

4-[(3r)-5-[(2r)-3,3-dimethyloxiran-2-yl]-3-methylpent-1-en-3-yl]phenol

4-[(3r)-5-[(2r)-3,3-dimethyloxiran-2-yl]-3-methylpent-1-en-3-yl]phenol

C16H22O2 (246.162)


   

(3e,5e,7e,9e,11e)-tetradeca-3,5,7,9,11-pentaen-1-yl acetate

(3e,5e,7e,9e,11e)-tetradeca-3,5,7,9,11-pentaen-1-yl acetate

C16H22O2 (246.162)


   

tetradeca-3,5,7,9,11-pentaen-1-yl acetate

tetradeca-3,5,7,9,11-pentaen-1-yl acetate

C16H22O2 (246.162)


   

8-methoxy-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan

8-methoxy-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan

C16H22O2 (246.162)


   

4-[(3r,6r)-6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl]phenol

4-[(3r,6r)-6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl]phenol

C16H22O2 (246.162)


   

(6r,7s)-6-ethenyl-6-methyl-7-(prop-1-en-2-yl)-4,5,7,8-tetrahydro-1h-naphthalene-1,4-diol

(6r,7s)-6-ethenyl-6-methyl-7-(prop-1-en-2-yl)-4,5,7,8-tetrahydro-1h-naphthalene-1,4-diol

C16H22O2 (246.162)


   

n-hydroxy(2s,3s)-2-[(2s)-n-hydroxy-2-methylbutanamido]-3-methylpentanimidic acid

n-hydroxy(2s,3s)-2-[(2s)-n-hydroxy-2-methylbutanamido]-3-methylpentanimidic acid

C11H22N2O4 (246.1579)


   

methyl 5-(4-isopropylphenyl)-2-methylpent-2-enoate

methyl 5-(4-isopropylphenyl)-2-methylpent-2-enoate

C16H22O2 (246.162)


   

4-isopropyl-6-methoxy-2,2,7-trimethyl-3h-inden-1-one

4-isopropyl-6-methoxy-2,2,7-trimethyl-3h-inden-1-one

C16H22O2 (246.162)


   

(4as)-7-isopropyl-3-methoxy-1,4a-dimethyl-5,6-dihydronaphthalen-2-one

(4as)-7-isopropyl-3-methoxy-1,4a-dimethyl-5,6-dihydronaphthalen-2-one

C16H22O2 (246.162)


   

methyl 2-[(1ar,2s,3as,4r,6br)-4,6b-dimethyl-1h,1ah,2h,3h,3ah,4h,5h-cyclopropa[e]inden-2-yl]prop-2-enoate

methyl 2-[(1ar,2s,3as,4r,6br)-4,6b-dimethyl-1h,1ah,2h,3h,3ah,4h,5h-cyclopropa[e]inden-2-yl]prop-2-enoate

C16H22O2 (246.162)


   

(11z)-hexadec-11-en-7,9-diynoic acid

(11z)-hexadec-11-en-7,9-diynoic acid

C16H22O2 (246.162)


   

6-(2-methoxyethyl)-2,3,5,7-tetramethyl-1h-inden-4-ol

6-(2-methoxyethyl)-2,3,5,7-tetramethyl-1h-inden-4-ol

C16H22O2 (246.162)


   

2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-ol

2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-ol

C16H22O2 (246.162)


   

n-hydroxy(2r,3s)-2-[(2s)-n-hydroxy-2-methylbutanamido]-3-methylpentanimidic acid

n-hydroxy(2r,3s)-2-[(2s)-n-hydroxy-2-methylbutanamido]-3-methylpentanimidic acid

C11H22N2O4 (246.1579)


   

n-hydroxy2-(n-hydroxy-2-methylbutanamido)-3-methylpentanimidic acid

n-hydroxy2-(n-hydroxy-2-methylbutanamido)-3-methylpentanimidic acid

C11H22N2O4 (246.1579)


   

(3ar,4ar,5r,7as,9as)-5-methyl-2,3,8-trimethylidene-octahydroazuleno[6,5-b]furan-5-ol

(3ar,4ar,5r,7as,9as)-5-methyl-2,3,8-trimethylidene-octahydroazuleno[6,5-b]furan-5-ol

C16H22O2 (246.162)


   

(1r,4s)-1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydro-1h-naphthalen-2-one

(1r,4s)-1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydro-1h-naphthalen-2-one

C16H22O2 (246.162)


   

(8s)-8-methoxy-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan

(8s)-8-methoxy-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan

C16H22O2 (246.162)


   

(2s,3r,4r,5r,6s)-2-[(3z)-hex-3-en-1-yloxy]-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-[(3z)-hex-3-en-1-yloxy]-6-methyloxane-3,4,5-triol

C12H22O5 (246.1467)


   

(2r,3r,4s,5s,6r)-2-[(3z)-hex-3-en-1-yloxy]-6-methyloxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(3z)-hex-3-en-1-yloxy]-6-methyloxane-3,4,5-triol

C12H22O5 (246.1467)


   

2-(hex-3-en-1-yloxy)-6-methyloxane-3,4,5-triol

2-(hex-3-en-1-yloxy)-6-methyloxane-3,4,5-triol

C12H22O5 (246.1467)


   

6-(2-methoxyethyl)-2,2,5,7-tetramethyl-3h-inden-1-one

6-(2-methoxyethyl)-2,2,5,7-tetramethyl-3h-inden-1-one

C16H22O2 (246.162)


   

(3ar,4as,8ar,9ar)-8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol

(3ar,4as,8ar,9ar)-8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol

C16H22O2 (246.162)


   

(8r)-8-methoxy-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan

(8r)-8-methoxy-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan

C16H22O2 (246.162)


   

(2s)-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-ol

(2s)-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-ol

C16H22O2 (246.162)


   

1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydro-1h-naphthalen-2-one

1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydro-1h-naphthalen-2-one

C16H22O2 (246.162)