Exact Mass: 176.148023558

Metacetaldehyde

2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

D010575 - Pesticides > D008975 - Molluscacides D016573 - Agrochemicals

(6E,8E)-4,6,8-Megastigmatriene

(6Z)-6-[(2E)-but-2-en-1-ylidene]-1,5,5-trimethylcyclohex-1-ene

(6Z,8E)-4,6,8-Megastigmatriene is found in fruits. (6Z,8E)-4,6,8-Megastigmatriene is a constituent of Passiflora edulis (passionfruit) Constituent of Passiflora edulis (passion fruit). (6E,8E)-4,6,8-Megastigmatriene is found in fruits.

(S)-4-(4-Methylphenyl)-2-pentanone

(S)-4-(4-Methylphenyl)-2-pentanone is found in herbs and spices. (S)-4-(4-Methylphenyl)-2-pentanone is isolated from rhizomes of Curcuma longa (turmeric). Isolated from rhizomes of Curcuma longa (turmeric). (S)-4-(4-Methylphenyl)-2-pentanone is found in herbs and spices.

4-Methyl-1-phenyl-2-pentanone

4-Methyl-1-phenyl-2-pentanone is a flavouring ingredien Flavouring ingredient

Rhubafuran

tetrahydro-2,4-Dimethyl-4-phenyl-(2R,4R)-rel-furan

Rhubafuran is a fragrance/flavouring agent ingredien Fragrance/flavoring agent ingredient

3-(4-Isopropylphenyl)propanal

4-(1-Methylethyl)benzenepropanal, 9ci

3-(4-Isopropylphenyl)propanal is a flavouring ingredien Flavouring ingredient

(Cyclohexylmethyl)pyrazine

(2-Pyrazinylmethyl)cyclohexane

(Cyclohexylmethyl)pyrazine is a flavouring ingredient. Possesses fungicidal and acaricidal activity. No commercial useage in agricultur Flavouring ingredient. Possesses fungicidal and acaricidal activity. No commercial useage in agriculture

1-Phenylheptane

1-Phenylheptane belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

1-Methyl-2-n-hexylbenzene

1-Methyl-2-n-hexylbenzene belongs to the class of organic compounds known as nitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and at least 1 nitro group.

1-Phenyl-2-hexanone

1-phenyl-2-hexanone is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. 1-phenyl-2-hexanone is considered to be a practically insoluble (in water) and an extremely weak acidic compound. 1-phenyl-2-hexanone can be found in feces.

1-Benzylpiperazine

1-Benzylpiperazine dihydrochloride

(S)-(+)-1-Benzyl-3-aminopyrrolidine

Ethanone, 1-(4-butylphenyl)-

1-(4-butylphenyl)ethan-1-one

Cladinose

4,5-dihydroxy-3-methoxy-3-methylhexanal

Ketone Ester

3-hydroxybutyl 3-hydroxybutanoate

Papa nonoate

{[(3-aminopropyl)(propyl)amino]-oxo-$l^{5}-azanylidene}(hydroxy)amine

Benzylpiperazine

1-Benzylpiperazine

CONFIDENCE standard compound; EAWAG_UCHEM_ID 2820 CONFIDENCE standard compound; INTERNAL_ID 1694

1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine

C8H20N2O2 (176.15247000000002)

Di(3-aminopropoxy)ethane

3-[2-(3-aminopropoxy)ethoxy]propan-1-amine

EDR 176. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2997-01-5 (retrieved 2024-10-30) (CAS RN: 2997-01-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

(S)-(+)-2-(anilinomethyl)pyrrolidine

1-Methyl-7-methoxytetralin

SCHEMBL13337953

SCHEMBL13304321

2-(1-Hydroxy-1-methylethyl)-3-(hydroxymethyl)oxirane-2-ethanol

4-(4-Methylphenyl)pentanal

Ethyl diethoxyacetate

(-)-aromadendrene

ethyl 4,4-dimethoxybutanoate

1-Isopropyl-3-tert-butylbenzene

L-dianose

5-Hydroxy-4-hydroxymethyl-2-propyl-1,3-dioxane

isopropyl-terbutyl-benzene

1-(4-Methylphenyl)pentan-2-one

cis-3a,4,5,6,7,7a-hexahydro-2-(2-propenyl)-1H-inden-1-one

1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-

1,4a-dimethyl-5,6,7,8-tetrahydro-2(4aH)-naphthalenone

3-(1-ethylpyrrolidin-2-yl)pyridine

2,6-Dideoxy-3-C-methyl-ribo-hexose-alpha-D-Pyranose-form

acetyldurene

2,3-dihydroxypropyl 3-methylbutanoate

erythro-2-Hydroxy-2-(1-hydroxyethyl)-4-methyl-pentanoic acid|erythro-2-Hydroxy-2-(1-hydroxyethyl)-4-methylpentanoic acid

3-(1-methylpiperidin-2-yl)pyridine

Norbicycloekasantalal

(4aS,8S)-5,6,7,8-tetrahydro-4a,8-dimethylnaphthalen-2(4aH)-one

(4aS*,8S*)-5,6,7,8-tetrahydro-4a,8-dimethylnaphthalen-2(4aH)-one

SCHEMBL4952557

1-Tert-butyl-4-isopropylbenzene

Hyosamine

N-[(2S)-2-Pyrrolidinylmethyl]aniline

Acquisition and generation of the data is financially supported in part by CREST/JST.

N-Methylnicotinium

1-Hexylglycerol

1-O-hexyl-sn-glycerol

2-Hexylglycerol

2-O-hexyl-sn-glycerol

Papa nonoate

(Z)-1-[N-(3-aminopropyl)-N-(n-propyl)amino]diazen-1-ium-1,2-diolate

D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors

6,8-dihydroxy-octanoic acid

FEMA 2740

4-Methyl-1-phenyl-2-pentanone

4-(4-methylphenyl)pentan-2-one

(S)-4-(4-Methylphenyl)-2-pentanone

(6E,8E)-4,6,8-Megastigmatriene

(6Z)-6-[(2E)-but-2-en-1-ylidene]-1,5,5-trimethylcyclohex-1-ene

Rhubafuran

tetrahydro-2,4-Dimethyl-4-phenyl-(2R,4R)-rel-furan

Cuminacetaldehyde

4-(1-Methylethyl)benzenepropanal, 9ci

FEMA 3631

(2-Pyrazinylmethyl)cyclohexane

N-butyryl-L-Homoserine lactone-d5

C8H8D5NO3 (176.12092469)

3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene

FA 8:0;O2

6,8-dihydroxy-octanoic acid

MG O-6:0

2-O-hexyl-sn-glycerol

1，6-Dimethyl-4-keto-tetrahydronaphthalene

2-(1-Piperidinyl)aniline

N-METHYL-N-(3-CARBOXYPROPYL)NITROSAMINE

3-AZETIDINAMINE, N-METHYL-1-(PHENYLMETHYL)-

HEXANOPHENONE

1-tert-butyl-3,4,5-trimethylbenzene

1-(4-propan-2-ylphenyl)propan-2-one

2-PYRIDIN-2-YL-AZEPANE

2-(2,4,6-TRIMETHYL-PHENYL)-ACETAMIDINE

2-methyl-4-pyrrolidin-1-ylaniline

C8H20N2O2 (176.15247000000002)

1,8-BIS(METHYLAMINO)-3,6-DIOXAOCTANE

4-amino-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile

Quinoxaline, 1,2,3,4-tetrahydro-2,2,3-trimethyl- (8CI,9CI)

1-ethenyl-3-[(2-methylpropan-2-yl)oxy]benzene

1-(4-butan-2-ylphenyl)ethanone

5-OXA-2-OCTYNE-1,7-DIOL

4-tert-Butylacetophenone

4-[(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)SULFONYL]-ANILINE

(S)-4-(piperidin-3-yl)aniline

6-Phenyl-2-hexanone

C10H17LiO2 (176.13885320000003)

lithium cyclohexanebutyrate

4-Piperidinoaniline

1-phenylhexan-3-one

1-(1-Benzyl-3-azetidinyl)methanamine

(1S,2R)-2-Phenylcyclohexanol

TRIETHYLIN

Trimethyl(4-vinylphenyl)silane

C11H16Si (176.10212159999998)

3-(4-Ethyl-2-methylphenyl)propanal

trans-2-phenyl-1-cyclohexanol

1-(4-Methylphenyl)piperazine

C8H20N2O2 (176.15247000000002)

3,3-ethylenedioxybis(propylamine)

2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol

1-(1-chloropropyl)-4-methylpiperazine

4-(2-pyrrolidin-1-ylethyl)pyridine

3-(6-amino-7,8-diazabicyclo[3.3.0]octa-5,8-dien-7-yl)propanenitrile

4-(3,3-difluoro-1-azetidinyl)-Piperidine

C8H14F2N2 (176.1124988)

(R)-(-)-2-(Anilinomethyl)pyrrolidine

7-Methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-amine

1-PHENYL-HEX-5-EN-3-OL

2-PYRIDIN-3-YL-AZEPANE

(1-benzylcyclobutyl)methanol

p-tert-butyloxystyrene

(1-HYDROXYETHYLIDENE)BISPHOSPHONICACID,POTASSIUMSALT

NOC-12

3-(1-Pyrrolidinylmethyl)aniline

1-[2-(2-methoxyethoxy)ethoxy]butane

Cycloheptanecarboximidamide hydrochloride (1:1)

3-Methyl-1-phenylpiperazine

(R,S)-N-Ethylnornicotine

3-(1-Ethyl-2-pyrrolidinyl)pyridine

ETHYLENEDIAMINOMETHYL POLYSTYRENE

C6H20N6 (176.174936)

1-Methyl-4-phenylpiperazine

(2-MORPHOLINOPYRID-4-YL)METHANOL

(3S)-1-methyl-3-phenylpiperazine

(4-(Pyrrolidin-1-yl)phenyl)methanamine

2-chloro-2-methylnonane

C10H21Cl (176.1331696)

4-Methyl-4-phenylpentan-2-one

2-Pentanone,4-methyl-4-phenyl-

1,2,9-Nonanetriol

Cyclohexanol, 3-phenyl-

Dipropylene glycol n-propyl ether

((CYCLOPENTYLOXY)METHYL)BENZENE

3,6,7-TRIMETHYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-AMINE

3,6,7-TRIMETHYL-3H-IMIDAZO[4,5-C]PYRIDIN-2-AMINE

1-(2-isopropoxy-1-methylethoxy)propan-2-ol

2,8-DIAZASPIRO[4.5]DECANE HYDROCHLORIDE

4-(1-METHYLCYCLOPROPYL)PHENYL BORONIC ACID

7-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

1-methy-2-phenylpiperazine

N-Phenyl-4-piperidinamine

Cyclohexanol, 1-phenyl-

2-(PYRROLIDIN-1-YL)BENZYLAMINE

(2-PYRROLIDIN-1-YLPHENYL)METHYLAMINE

N-phenylpiperidin-3-amine

2-PYRIDIN-4-YL-AZEPANE

2-methyl-5-phenylpiperazine

2-AMINOPROPYL-4(7)-AZO-BENZIMIDAZOLE

(1)BENZOTHIENO(2,3-D)PYRIMIDIN-4(1H)-ONE,2,3,5,6,7,8-HEXAHYDRO-3-METHYL-2-THIO

1,4-DI-ISO-PROPYL-2-METHYLBENZENE

METHYL 5,5-DIMETHOXYVALERATE

1,6,6-TRIMETHYL-3-TERT-BUTYL-FULVENE

2-Phenylcyclohexanol

Cyclohexanol, 2-phenyl-

Benzenemethanol, a-cyclopropyl-a,4-dimethyl-

3-p-tolyl-tetrahydrofuran

3-Piperidin-1-ylaniline

Pyridine, 2-(4-piperidinylmethyl)-

(5)HELICENE

1-(1H-INDOL-3-YLCARBONYL)-1H-IMIDAZOLE

(1-phenylpyrrolidin-3-yl)methanamine

1-(3-Methylphenyl)piperazine

pentanol-1 and 3-methylbutanol-1

C10H24O2 (176.1776204)

2-(1-Pyrrolidinylmethyl)aniline

1-Benzyl-2-azetidinemethanamine

2-CYCLOHEXYLPHENOL

2-Methyl-4-(1-piperidinyl)-pyridine

1H-Benzimidazole-1,2-diamine,5,6-dimethyl-

(5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)BORONIC ACID

4-(1-Pyrrolidinylmethyl)aniline

5,6,7,8-tetrahydronaphthalen-2-ylboronic acid

2-Cyclohexyl-acetamidine HCl

10-fluorodecan-1-ol

C10H21FO (176.15763479999998)

3-(2,3-DIHYDRO-1H-INDOL-1-YL)PROPAN-1-AMINE

lily pentanal

2-(2,2-Dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol

cyclohexyloxybenzene

4-TERT-BUTYL-BENZAMIDINE

5-chloro-5-methylnonane

C10H21Cl (176.1331696)

[4-(azetidin-1-ylmethyl)phenyl]methanamine

1-Ethyl-7-amino-1,2,3,4-tetrahydroquinoline

Ethanone,1-(2,3,5,6-tetramethylphenyl)-

3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

Piperazine,2-methyl-1-phenyl-

1-(2,4-DIFLUOROPHENYL)-2-THIOUREA

Dibenzofuran D8

C12D8O (176.107729224)

(1R,2S)-2-phenylcyclohexanol

1-(2-Aminoethyl)-1H-Benzimidazol-2-Amine

7-amino-1,2,3,4-tetrahydro-2,2-dimethylquinoline

2-(M-TOLYL)PIPERAZINE

Quinoxaline, 1,2,3,4-tetrahydro-1-propyl- (6CI)

3-Cyclopropyl-5,6,7,8-tetrahydro-pyrido[4,3-e][1,2,4]triazine

Ethanone,1-[2-methyl-5-(1-methylethyl)phenyl]-

4-(PIPERIDIN-4-YL)ANILINE

Fumaraldehyde bis(dimethylacetal)

2,3,4,5,6-pentamethylbenzaldehyde

(3R)-1-Benzylpyrrolidin-3-amin

1-(2-Methylphenyl)-1-pentanone

2-[(tert-Butyldimethylsilyl)oxy]ethanol

3-(ISOINDOLIN-2-YL)PROPAN-1-AMINE

[2-(3-Methyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl]amine

1-(2,4,6-trimethylphenyl)propan-1-one

C11H12D2N2 (176.12824675599998)

GRAMINE-α,α-D2

Aminocarnitine

N3,N3-Dimethyl-1H-pyrrolo[2,3-b]pyridine-3,5-diamine

Pyridine, 3-(4-piperidinylmethyl)-

phenyl piperazine

2-Methylnicotine

Tricyclo[4.4.1.12,5]dodec-3-en-11-one, (1R,2R,5R,6S)-rel- (9CI)

Tricyclo[4.2.1.12,5]dec-3-en-9-one, 1-ethyl-, (1R,2R,5S,6S)-rel- (9CI)

Pyrrolo[1,2-a]pyrazine, 3,4-dihydro-6-methyl-1-propyl- (9CI)

Tri-n-propylphosphine oxide

C9H21OP (176.1329946)

1H-Imidazo[4,5-b]pyrazine,1,2,5,6-tetramethyl-(9CI)

1,1,3-TRIETHOXYPROPANE

2-(2-METHYLPHENYL)-1,3,2-DIOXABORINANE

12-Crown-4

1,4,7,10-Tetraoxacyclododecane

isopropyl phenyl propionaldehyde

2,4-diethyl acetophenone

2-5-dimethylbutyrophenone

1-(4-propylphenyl)propan-1-one

Pyridine, 4-(4-piperidinylmethyl)-

1-TERT-BUTYL-4,4-DIFLUOROCYCLOHEXANE

C10H18F2 (176.1376492)

2-(4-tert-butylphenyl)acetaldehyde

2-(2-pentoxyethoxy)ethanol

4-Tert-Amylbenzaldehyde

3,4,4-trimethoxyoxane

(R)-2-benzylpiperazine

1-phenylpiperidin-4-amine

Diisopropyl(dimethoxy)silane

Diethoxy(diethyl)silane

(3-Pyrrolidin-1-ylphenyl)methylamine

1,1,3,3-Tetramethoxycyclobutane

4-isopropylpropiophenone

(4-cyclobutylphenyl)boronic acid

2-BZP

Benzenemethanol, a-cyclopropyl-2,5-dimethyl-

5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (en)1-Naphthalenol

fluorene-d10

C13D10 (176.14101778)

1-Butoxyethoxy-2-propanol

1-p-Tolyl-pentan-1-one

3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE

1-Chlorodecane

C10H21Cl (176.1331696)

1-(3-Chloropropyl)-4-methylpiperazine

2-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-ETHYLAMINE

DL-Phenylalanine-d11

C9D11NO2 (176.148023558)

2,3-Dimethyl-4-ethylacetophenone

2,3-Dihydro-2,2,4,6-tetramethylbenzofuran

C6H11N2.C3HN2 (176.10619119999998)

3-Ethyl-1-methyl-1H-imidazolium salt with propanedinitrile

1Y1&1R DV1

mercaptoundecahydrododecaborate

B12H12S (176.1776272)

HEXYLMETHYLSILOXANE, 2-PHENYLPROPYLMETHYLSILOXANE COPOLYMER

C7H20OSi2 (176.105263)

9-Mercapto-nonan-1-ol

C9H20OS (176.123479)

1-benzyl-3-methylazetidin-3-amine

1-propan-2-yl-2,3-dihydroindol-6-amine

NOC-5

1-Hydroxy-2-oxo-3-(3-aminopropyl)-3-isopropyl-1-triazene

2-PHENYL-[1,4]DIAZEPANE

4-Phenylcyclohexanol

2(1H)-Isoquinolineethanamine,3,4-dihydro-

Pyridine,2-[2-(1-pyrrolidinyl)ethyl]-

4-methyl-1-phenylpentan-3-one

4-Butylbenzenecarboximidamide

1-(2-Methylphenyl)piperazine

1-phenylpiperidin-3-amine

Quinoxaline, 1,2,3,4-tetrahydro-2-propyl- (9CI)

tert-butylperoxy isopropyl carbonate

ethane-1,2-diol,2-(prop-2-enoxymethyl)oxirane

2-(2-Ethoxyethoxy)ethyl acetate

1-M-TOLYL-PENTAN-1-ONE

1-(2H-benzotriazol-4-yl)-N,N-dimethylmethanamine

Propanenitrile,3,3,3-nitrilotris-

trans-1-(1-adamantyl)propene

Benzaldehyde, 4-pentyl-

1H-Benzimidazole-5,6-diamine,2-ethyl-(9CI)

5-AMINO-1-CYCLOPENTYL-1H-PYRAZOLE-4-CARBONITRILE

3-Cyclohexylphenol

4-(piperidin-3-yl)aniline

1-Phenyl-1,4-diazepane

Piperidine, 1-methyl-2-(3-pyridyl)-

6,8-Dihydroxyoctanoic acid

Acetyl-beta-methylthiocholine

C8H18NOS+ (176.1109038)

N-Methylanabasine

Benzene, 1-methyl-3,5-bis(1-methylethyl)-

2,3-Dihydroxypropyl pentanoate

1,2,3-Trimethoxyhexane

4-Methoxybutoxy(trimethyl)silane

(2-Isopropoxyethoxy)(trimethyl)silane

(5r)-5-Amino-6-Hydroxyhexylcarbamic Acid

Hexaphenone

1-Hexanone, 1-phenyl-

Heptylbenzene

Heptane, 1(or 7)-phenyl-

N-(pyrrolidin-2-ylmethyl)aniline

C6H16N4O2+2 (176.12731960000002)

L-Norvaline, 5-(aminoiminomethoxy)-

C6H14N3O3+ (176.1035114)

alpha-L-rhodosamine

C8H18NO3+ (176.1286618)

alpha-L-megosamine

C8H18NO3+ (176.1286618)

3-dimethylamino-3,4,6-trideoxy-alpha-D-glucopyranose

C8H18NO3+ (176.1286618)

2-Amino-5-guanidino-pentanoic acid

L-arcanose

C6H16N4O2+2 (176.12731960000002)

Argininium(2+)

methyl 2-deoxy-alpha-D-glucoside

C6H16N4O2+2 (176.12731960000002)

D-argininium(2+)

(E)-6-Phenyl-5-hexen-1-ol

(3-Ethoxypropoxy)trimethylsilane

[(1-Ethoxypropan-2-yl)oxy]trimethylsilane

3,5-Dimethyl-1,4-diallylpyrazole

4-Isopropylbicyclo(3.2.2)nona-3,6-dien-2-one

METALDEHYDE

D010575 - Pesticides > D008975 - Molluscacides D016573 - Agrochemicals

L-Cladinose

4-Methyl-1-phenyl-2-pentanone

cuminyl acetaldehyde

Benzenepropanal, 4-(1-methylethyl)-

1-Phenyl-2-hexanone

(Cyclohexylmethyl)pyrazine

A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a cyclohexylmethyl group.

1-Methyl-2-n-hexylbenzene

2-O-hexyl-sn-glycerol

Argininium(2+)

L-argininium(2+)

D-argininium(2+)

Dihydroxyoctanoic acid

(4r)-4-(4-methylphenyl)pentanal

2-[2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

7-methyl-4-methylidene-decahydrocyclopropa[e]azulene

(6e)-6-(but-2-en-1-ylidene)-1,5,5-trimethylcyclohex-1-ene

(2r,3r,4s,6r)-4,6-dimethoxy-2-methyloxan-3-ol

(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-4-methylpentanoic acid

4-(hydroxymethyl)-2-propyl-1,3-dioxan-5-ol

4,7-dihydroxyoctanoic acid

1,1-diethylpropylbenzene

(1,1-DIETHYLPROPYL)BENZENE; 4170-84-7; Benzene, (1,1-diethylpropyl)-; 4170-07-4; 3-ethylpentan-3-ylbenzene

{"Ingredient_id": "HBIN000407","Ingredient_name": "1,1-diethylpropylbenzene","Alias": "(1,1-DIETHYLPROPYL)BENZENE; 4170-84-7; Benzene, (1,1-diethylpropyl)-; 4170-07-4; 3-ethylpentan-3-ylbenzene","Ingredient_formula": "C13H20","Ingredient_Smile": "CCC(CC)(CC)C1=CC=CC=C1","Ingredient_weight": "176.3 g/mol","OB_score": "51.15169154","CAS_id": "4170/7/4","SymMap_id": "SMIT09500","TCMID_id": "NA","TCMSP_id": "MOL008181","TCM_ID_id": "NA","PubChem_id": "20136","DrugBank_id": "NA"}

1,3,5-cycloheptatriene,2,4-diethyl-7,7-dimethyl

{"Ingredient_id": "HBIN001047","Ingredient_name": "1,3,5-cycloheptatriene,2,4-diethyl-7,7-dimethyl","Alias": "NA","Ingredient_formula": "C13H20","Ingredient_Smile": "CCC1=CC(=CC(C=C1)(C)C)CC","Ingredient_weight": "176.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40851","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "590161","DrugBank_id": "NA"}

2,6-dideoxy-arabino-hexose,9ci; l-form,o3-et