Exact Mass: 214.11916060000001
Exact Mass Matches: 214.11916060000001
Found 500 metabolites which its exact mass value is equals to given mass value 214.11916060000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harmaline
Harmaline is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as a oneirogen. It derives from a hydride of a harman. Harmaline is a natural product found in Passiflora pilosicorona, Passiflora boenderi, and other organisms with data available. A beta-carboline alkaloid isolated from seeds of PEGANUM. A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. Harmaline is found in fruits. Harmaline is an alkaloid from Passiflora incarnata (maypops D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H027; [MS2] KO008994 KEIO_ID H027
Dethiobiotin
Dethiobiotin is a synthetic metabolite that mimic the effects of biotin on gene expression and thus have biotin-like activities. In mammals, biotin serves as a coenzyme for carboxylases such as propionyl-CoA carboxylase. (PMID 12730407) [HMDB]. Dethiobiotin is found in many foods, some of which are agave, garden onion, lime, and black mulberry. Dethiobiotin is a synthetic metabolite that mimic the effects of biotin on gene expression and thus have biotin-like activities. In mammals, biotin serves as a coenzyme for carboxylases such as propionyl-CoA carboxylase. (PMID 12730407). D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D050258 - Mitosis Modulators > D008934 - Mitogens KEIO_ID D075; [MS3] KO009104 KEIO_ID D075; [MS2] KO009103 KEIO_ID D075 D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography. D-Desthiobiotin also can be used for protein and cell labeling, detection and isolation[1].
Methyl 2-diazoacetamidohexonate
C9H16N3O3+ (214.11916060000001)
A diazonium ion that is diazotized methyl glycyl-L-norleucinate.
Ichthyotherol
Dihydropinosylvin
Dihydropinosylvin is a member of the class of resorcinols carrying an additional 2-phenylethyl substituent at position 5. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a member of resorcinols and a diphenylethane. Dihydropinosylvin is a natural product found in Dioscorea mangenotiana, Stemona tuberosa, and other organisms with data available. A member of the class of resorcinols carrying an additional 2-phenylethyl substituent at position 5. Dihydropinosylvin is a stilbenoid that can be found in Stemona collinsae[1]. Dihydropinosylvin is a stilbenoid that can be found in Stemona collinsae[1].
(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol
(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol is converted from cis-stilbene oxide via the enzyme microsomal epoxide hydrolase (EC 3.3.2.9). This is a key hepatic enzyme that is involved in the metabolism of numerous xenobiotics, such as 1,3-butadiene oxide, styrene oxide and the polycyclic aromatic hydrocarbon benzo[a]pyrene 4,5-oxide. [HMDB] (+)-(1R,2R)-1,2-Diphenylethane-1,2-diol is converted from cis-stilbene oxide via the enzyme microsomal epoxide hydrolase (EC 3.3.2.9). This is a key hepatic enzyme that is involved in the metabolism of numerous xenobiotics, such as 1,3-butadiene oxide, styrene oxide and the polycyclic aromatic hydrocarbon benzo[a]pyrene 4,5-oxide. (R,R)-(+)-Hydrobenzoin is a organocatalysts[1].
(2S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
Valylproline
Valylproline is a dipeptide composed of valine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene is found in herbs and spices. (E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene is a constituent of roots of Tanacetum vulgare (tansy)
Prolyl-Valine
Prolyl-Valine is a dipeptide composed of proline and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Velnacrine
Velnacrine belongs to the family of Acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
alpha-Carboxy-delta-decalactone
alpha-Carboxy-delta-decalactone is found in milk and milk products. alpha-Carboxy-delta-decalactone is a possible latent butter aroma compoun
2-Carboxy-5,7-dimethyl-4-octanolide
2-Carboxy-5,7-dimethyl-4-octanolide is found in milk and milk products. 2-Carboxy-5,7-dimethyl-4-octanolide is a possible latent butter aroma compoun
Ethyl 1-naphthylacetic acid
Ethyl 1-naphthylacetic acid is a plant growth regulator used to promote root growth
Fenyramidol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-(2-Ethyl-3H-1-benzofuran-2-yl)-1H-imidazole
Tert-butyl N-[2-(prop-2-enamido)ethyl]carbamate
Tetradeca-4,6-diene-8,10,12-triyne-1-ol
Tetradeca-4,6-diene-8,10,12-triyne-1-ol is a member of the class of compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Tetradeca-4,6-diene-8,10,12-triyne-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Tetradeca-4,6-diene-8,10,12-triyne-1-ol can be found in mugwort, which makes tetradeca-4,6-diene-8,10,12-triyne-1-ol a potential biomarker for the consumption of this food product.
3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
(-)-Lindenene
Dihydropyrocurzerenone
Dihydropyrocurzerenone is a natural product found in Commiphora gileadensis and Commiphora sphaerocarpa with data available.
Harmaline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.572 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.569 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.563 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.565 D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
(all-E)-1,4,8,10-Pentadecatetraen-6-yn-3-one|Pentadeca-1,4t,8t,10t-tetraen-6-in-3-on|pentadeca-1,4t,8t,10t-tetraen-6-yn-3-one
(E,E)-1,8,10-Pentadecatriene-4,6-diyn-3-ol|pentadeca-1,8t,10t-triene-4,6-diyn-3-ol|Pentadecatrien-(1,8t,10t)-diin-(4,6)-ol-(3)|trans.trans-Pentadecatrien-(1.8.10)-diin-(4.6)-ol-(3)
3-(1-hydroxyethyl)-6-(2-methylpropyl)piperazine-2,5-dione
(4E,6Z)-form-4,6-Tetradecadiene-8,10,12-triyne-1,3-diol,|Tetradeca-4E,6Z-dien-8,10,12-triin-1,3-diol|tetradeca-4t,6c-diene-8,10,12-triyne-1,3-diol
5,6,8,9-tetrahydro-6,6,8-trimethylazuleno<5,6-c>furan|5,6,8,9-tetrahydro-6,6,8-trimethylazuleno[5,6-c]furan
2-Me ether-(R,E,E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol
(E,E)-8,10,14-Pentadecatriene-4,6-diyn-3-ol|Pentadeca-8,10,14-trien-4,6-diin-3-ol|pentadeca-8t,10t,14-triene-4,6-diyn-3-ol|trans.trans-Pentadecatrien-(8.10.14)-diin-(4.6)-ol-(3)
(7E,13E)-7,13-Pentadecadiene-9,11-diyn-6-one|pentadeca-7t,13t-diene-9,11-diyn-6-one
14-Hydroxy-guai-1,3,5,9,11-pentaen|dihydroazulene alcohol
(5E,7E,13E)-5,7,13-Pentadecatriene-9,11-diyn-4-ol|(all-E)-5,7,13-Pentadecatriene-9,11-diyn-4-ol|all-trans-Pentadecatrien-(2.8.10)-diin-(4.6)-ol-(12)|pentadeca-5t,7t,13t-triene-9,11-diyn-4-ol|pentadeca-trans-2,trans-8,trans-10-triene-4,6-diyn-12-ol|Pentadecatrien-(2t,8t,10t)-diin-(4,6)-ol-(12)
(+-)-Xanthorrhoein|5-Methoxy-2-methyl-2,3-dihydro-benzo[de]chromen|5-methoxy-2-methyl-2,3-dihydro-benzo[de]chromene|Xanthorrhoein
4,5-Epoxide-4,6-Tetradecadiene-8,10,12-triyn-1-ol|4,5-Epoxy-6t-tetradecen-8,10,12-triin-1-ol
1-methyl-3-propan-2-ylcyclopentane-1,2-dicarboxylic acid
2-Acetyl-1-glykoloyl-1--hydrazin|2-Acetyl-1-glykoloyl-1-[hexen-(1cis)-yl]-hydrazin|geralcin E
(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2(5H)-one
5-hydroxy-tetradec-6t-ene-8,10,12-triynal cyclohemiacetal|6-non-1-ene-3,5,7-triyn-t-yl-tetrahydro-pyran-2-ol
(2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethylcyclohexanone
(Z,Z)-2,9-Pentadecadiene-4,6-diyn-1-al|pentadeca-2c,9c-diene-4,6-diynal
1t-phenyl-heptatrien-(1.3t.5t)-oic acid-(7)-methyl ester|1t-Phenyl-heptatrien-(1.3t.5t)-saeure-(7)-methylester|7-phenyl-hepta-2,4,6-trienoic acid methyl ester|7-Phenyl-hepta-2,4,6-triensaeure-methylester|methyl (2E,4E,6E)-7-phenylhepta-2,4,6-trienoate|methyl 7-phenyl-2,4,6-heptatrienoate|methyl 7-phenyl-2E,4E,6E-heptatrienoate
(7E,13E)-7,13-Pentadecadiene-9,11-diyn-4-one|(E,E)-7,13-Pentadecadiene-9,11-diyn-4-one|pentadeca-7t,13t-diene-9,11-diyn-4-one|pentadeca-trans-2,trans-8-diene-4,6-diyn-12-one|Pentadecadien-(7t,13t)-diin-(9,11)-on-(4)
(+/-)-4,6,7,9a-tetrahydro-6,6,9a-trimethylnaphtho<1,2-b>furan|axinellin-B
dethiobiotin
A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D050258 - Mitosis Modulators > D008934 - Mitogens D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography. D-Desthiobiotin also can be used for protein and cell labeling, detection and isolation[1].
7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
Piliformic-acid
[Raw Data] CBA57_Piliformic-a_pos_40eV.txt [Raw Data] CBA57_Piliformic-a_pos_30eV.txt [Raw Data] CBA57_Piliformic-a_pos_20eV.txt [Raw Data] CBA57_Piliformic-a_pos_10eV.txt
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847722]
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one_major
3,4-dihydro-2,2-dimethyl-indeno[1,2-b]-pyran-5(2H)-one
pro-val
A dipeptide formed from L-proline and L-valine residues.
Val-pro
A dipeptide formed from L-valine and L-proline residues.
(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
ethyl 2-(piperidine-4-carboxamido)acetate hydrochloride
Silane, [(3-ethoxy-4-ethyl-1-cyclobuten-1-yl)oxy]trimethyl- (9CI)
C11H22O2Si (214.13889920000003)
trans-N,N-Dimethyl-1,2-diaminocyclohexanedihydrochloride
N1,N1-Dimethylcyclohexane-1,4-diamine dihydrochloride
4-AMINO-N-ETHYL-N-ISOPROPYLANILINE HYDROCHLORIDE
C11H19ClN2 (214.12366839999999)
(1,4-Dioxa-spiro[4.5]dec-8-YL)-acetic acid Methyl ester
N1,N2-DIMETHYLCYCLOHEXANE-1,2-DIAMINE DIHYDROCHLORIDE
Methyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) propionate
N,N-Dimethyl-1-(4-piperidinyl)methanamine dihydrochloride
2-P-Tolyl-4,5,6,7-Tetrahydro-Oxazolo[5,4-C]Pyridine
ethyl (E)(S)-3-(2,2-dimethyl[1,3]dioxolane-4-yl)-2-methylacrylate
3,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carbaldehyde
1-(3,5-DIMETHYL-1-PHENYL-1H-4-PYRAZOLYL)-1-ETHANONE
3-Pyridinecarboxamide,1,4-dihydro-1-(phenylmethyl)-
4-Methyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
(4-OXO-5,6,7,8-TETRAHYDRO-4H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)-ACETICACIDMETHYLESTER
2-ACETYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
4-(N,N-Diethyl)-2-methyl-p-phenylenediamine monohydrochloride
C11H19ClN2 (214.12366839999999)
N1-(4,6-DIMETHYLPYRIMIDIN-2-YL)BENZENE-1,4-DIAMINE
1-Isopropyl-(S )-2-methylpiperazine dihydrochloride
ethyl (Z)(R)-4,5-O-isopropylidene-4,5-dihydroxy-2-methylpent-2-enoate
tert-Butyl 4-(hydroxyimino)piperidine-1-carboxylate
(R)-TERT-BUTYL (1-METHYL-2-OXOPYRROLIDIN-3-YL)CARBAMATE
ETHYL1-TERT-BUTYL-5-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE
cyclohexylidenemethoxymethoxy(trimethyl)silane
C11H22O2Si (214.13889920000003)
2,3-Dihydro-7-methoxy-1H-cyclopenta[b]quinolin-9-amine
TRANS-(1R,2R)-N,N-BISMETHYL-1,2-CYCLOHEXANEDIAMINEDIHYDROCHLORIDE
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl acetate
2-CHLORO-2-CYCLOHEXYLCYCLOHEXANONE
C12H19ClO (214.11243539999998)
1-PIPERAZINECARBOXYLIC ACID,4-FORMYL-,1,1-DIMETHYLETHYL ESTER
2,5-DIMETHYL-1-PYRIDIN-3-YLMETHYL-1H-PYRROLE-3-CARBALDEHYDE
3,4-dihydro-6-[(tert-butyl)dimethyl silyloxy]-2h-pyran
C11H22O2Si (214.13889920000003)
3-(METHOXYCARBONYL)-1,2,2-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
3-(METHOXYCARBONYL)-2,2,3-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine
3-(Dimethylamino)-2-(4-methylbenzoyl)acrylonitrile
2-(TERT-BUTYLDIMETHYLSILOXY)PENT-2-EN-4-ONE
C11H22O2Si (214.13889920000003)
2-(2-tert-Butyl-6-methylpyran-4-ylidene)malononitrile
(3aR,5R,6S,6aR)-5-allyl-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole
(1Z)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime
3,6-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octane-6-acetate
C10H16NO4- (214.10792759999998)
tert-butyl-(3,6-dihydro-2H-pyran-4-yloxy)-dimethylsilane
C11H22O2Si (214.13889920000003)
2-(2-FURYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE
Adamantane-1-carboxamidine hydrochloride
C11H19ClN2 (214.12366839999999)
2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrole-3-carbaldehyde
2-[1-(Carboxymethyl)-3-methylcyclohexyl]acetic acid
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
6-(1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one
2-Methoxy-N-(3-oxo-3-(pyrrolidin-1-yl)propyl)acetamide
Trimethylsilyl 2-cyclohexylacetate
C11H22O2Si (214.13889920000003)
Fenyramidol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
9-Ethyl-1,2,4,5-tetrazaspiro[5.5]undecane-3-thione
3-[(2-Aminoethyl)thio]-6-ethyl-1-azabicyclo[3.2.0]heptan-7-one
2-Octenoic acid, trimethylsilyl ester
C11H22O2Si (214.13889920000003)
3-Octenoic acid, trimethylsilyl ester
C11H22O2Si (214.13889920000003)
1-Methyl-1-cyclohexanecarboxylic acid trimethylsilyl ester
C11H22O2Si (214.13889920000003)
Methyl 3,5-dihydro-3-ethenyl-5-methyl-6-heptenoate
Desthiobiotin
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D050258 - Mitosis Modulators > D008934 - Mitogens D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography. D-Desthiobiotin also can be used for protein and cell labeling, detection and isolation[1].
Velnacrine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide
A monocarboxylic acid amide that is acetamide substituted by a methoxy group at position 2 and a 3-oxo-3-(pyrrolidin-1-yl)propyl group at the nitrogen atom.
7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
(3s,4ar,7s,7as)-3-ethoxy-7-hydroxy-7-methyl-hexahydrocyclopenta[c]pyran-1-one
(3ar,6r,7as)-3a,6-dihydroxy-4,4,7a-trimethyl-tetrahydro-1-benzofuran-2-one
[5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol
[4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulen-1-yl]methanol
(6s)-6-[(1s)-1-hydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one
4-[5-(1-hydroxypropyl)oxolan-3-yl]but-2-enoic acid
3-(4-methoxyphenyl)-4h,5h,6h-pyrrolo[1,2-b]pyrazole
(8r)-1,2,5,8-tetramethyl-6h,7h,8h-indeno[5,4-b]furan
(1r,4s,6r)-4-methoxy-4-pentyl-3,7-dioxabicyclo[4.1.0]heptan-2-one
3-ethoxy-7-hydroxy-7-methyl-hexahydrocyclopenta[c]pyran-1-one
(8as)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,9h-naphtho[2,3-b]furan
(4ar,7ar)-3,8-dimethyl-5-methylidene-4h,4ah,6h,7h,7ah-azuleno[6,5-b]furan
1-tert-Butyl-7-methoxynaphthalene
{"Ingredient_id": "HBIN003336","Ingredient_name": "1-tert-Butyl-7-methoxynaphthalene","Alias": "Naphthalene, 1-(1,1-dimethylethyl)-7-methoxy-; 1-tert-butyl-7-methoxy-naphthalene","Ingredient_formula": "C15H18O","Ingredient_Smile": "CC(C)(C)C1=CC=CC2=C1C=C(C=C2)OC","Ingredient_weight": "214.3 g/mol","OB_score": "27.4637603","CAS_id": "NA","SymMap_id": "SMIT07298","TCMID_id": "NA","TCMSP_id": "MOL005556","TCM_ID_id": "NA","PubChem_id": "608110","DrugBank_id": "NA"}
4,5-dihydropyrocurzerenone
{"Ingredient_id": "HBIN010011","Ingredient_name": "4,5-dihydropyrocurzerenone","Alias": "NA","Ingredient_formula": "C15H18O","Ingredient_Smile": "CC1CCC2=C(C1)C3=C(C=C2C)OC=C3C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5696","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f]benzofuran
{"Ingredient_id": "HBIN010250","Ingredient_name": "(4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f]benzofuran","Alias": "(4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f][1]benzoxole; naphtho[2,3-b]furan, 4,4a,8a,9-tetrahydro-3,5,8a-trimethyl-, (8aS)-; (8aS)-3,5,8a-trimethyl-4,4a,8a,9-tetrahydronaphtho[2,3-b]furan; InChI=1/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4-6,9,13H,7-8H2,1-3H3/t13?,15-/m1/s","Ingredient_formula": "C15H18O","Ingredient_Smile": "NA","Ingredient_weight": "214.3","OB_score": "27.70192824","CAS_id": "87605-93-4","SymMap_id": "SMIT03591","TCMID_id": "NA","TCMSP_id": "MOL001122","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxycalamenone
{"Ingredient_id": "HBIN013273","Ingredient_name": "7-hydroxycalamenone","Alias": "NA","Ingredient_formula": "C15H18O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-Hydroxycadalene
{"Ingredient_id": "HBIN013773","Ingredient_name": "8-Hydroxycadalene","Alias": "NA","Ingredient_formula": "C15H18O","Ingredient_Smile": "CC1=C2C(=CC(=CC2=C(C=C1)C(C)C)C)O","Ingredient_weight": "214.3 g/mol","OB_score": "21.45951982","CAS_id": "NA","SymMap_id": "SMIT06267","TCMID_id": "NA","TCMSP_id": "MOL004330","TCM_ID_id": "NA","PubChem_id": "14107524","DrugBank_id": "NA"}
(9s)-3,5,9-trimethyl-6h,7h,8h,9h-naphtho[1,2-b]furan
(4as,7as)-3-methyl-6,8-dimethylidene-4h,4ah,5h,7h,7ah,9h-azuleno[6,5-b]furan
[(7s)-4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulen-1-yl]methanol
(10r,11s)-10,11-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,12-tetraene
(4as,7as)-3-methyl-5,8-dimethylidene-4h,4ah,6h,7h,7ah,9h-azuleno[6,5-b]furan
7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,8(12),9-tetraene
[(3e)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol
(4as,8ar)-3,5,8a-trimethyl-4h,4ah,9h-naphtho[2,3-b]furan
(3ar,6s,7as)-3a,6-dihydroxy-4,4,7a-trimethyl-tetrahydro-1-benzofuran-2-one
(4as,8ar)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,9h-naphtho[2,3-b]furan
(1s,9s,10r,12s)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3(7),4-diene
(4r,5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-ol
3,8a-dimethyl-5-methylidene-4h,4ah,6h,9h-naphtho[2,3-b]furan
(7r)-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,8(12),9-tetraene
4-[(1r,2s)-1,2-dimethyl-3-methylidenecyclopentyl]benzaldehyde
3,8-dimethyl-5-methylidene-4h,4ah,6h,7h,9h-azuleno[6,5-b]furan
3,5-dihydroxy-3-methyl-2-(2-methylpropyl)-4h-pyrrole-2-carboximidic acid
methyl (2e,4e,6s,7r)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
3,8-dimethyl-5-methylidene-4h,4ah,6h,7h,7ah-azuleno[6,5-b]furan
(5e,7e,11e,13e)-pentadeca-5,7,11,13-tetraen-9-ynal
(4as,8as)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,9h-naphtho[2,3-b]furan
(4as,8as)-3,5,8a-trimethyl-4h,4ah,9h-naphtho[2,3-b]furan
methyl (2e,4e,6r,7s)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
n-[(1e)-hex-1-en-1-yl]-n-(2-hydroxyacetyl)ethanehydrazonic acid
8-isopropyl-5-methyl-3,4-dihydronaphthalene-2-carbaldehyde
(8s)-1,2,5,8-tetramethyl-6h,7h,8h-indeno[5,4-b]furan
6-(2-hydroxy-5-methyl-4,5-dihydro-3h-imidazol-4-yl)hexanoic acid
(3as,6s,7ar)-3a,6-dihydroxy-4,4,7a-trimethyl-tetrahydro-1-benzofuran-2-one
[4-methyl-7-(propan-2-ylidene)-6h-azulen-1-yl]methanol
2-[(4as,9ar)-4ah,9h,9ah-pyrido[3,4-b]indol-1-yl]ethanol
n-(hex-1-en-1-yl)-n-(2-hydroxyacetyl)ethanehydrazonic acid
(4as)-3,8-dimethyl-5-methylidene-4h,4ah,6h,7h,9h-azuleno[6,5-b]furan
n-[(1z)-hex-1-en-1-yl]-n-(2-hydroxyacetyl)ethanehydrazonic acid
(2r,3s)-3,5-dihydroxy-3-methyl-2-(2-methylpropyl)-4h-pyrrole-2-carboximidic acid
6-(1-hydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one
methyl (2e,4e,6r,7r)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
(2e)-3-[(2s,3r,4r,5r)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal
(5r,5as)-1,5,8-trimethyl-4h,5h,5ah,6h-naphtho[2,1-b]furan
{[(2s)-1-methoxy-1-oxohexan-2-yl]-c-hydroxycarbonimidoyl}methanediazonium
[C9H16N3O3]+ (214.11916060000001)