Exact Mass: 246.2015
Exact Mass Matches: 246.2015
Found 347 metabolites which its exact mass value is equals to given mass value 246.2015,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mepivacaine
A local anesthetic that is chemically related to bupivacaine but pharmacologically related to lidocaine. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3126
Milnacipran
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators
4-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
Milnacipran
Milnacipran is an antidepressant of the serotonin-norepinephrine reuptake inhibitor class. Milnacipran has been approved and sold in Austria since September 1998 under the brand name Ixel. Cypress Bioscience bought the exclusive rights for approval and marketing of the drug for any purpose in the US and Canada in 2003 from the manufacturer Pierre Fabre; the approval procedure in both countries is ongoing. D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators
Avocadienofuran
Avocadienofuran is found in fruits. Avocadienofuran is a constituent of Persea americana (avocado)
Avocadynofuran
Avocadynofuran is found in avocado. Avocadynofuran is a constituent of Persea americana (avocado) Constituent of Persea americana (avocado). Avocadynofuran is found in avocado and fruits.
Ginsenoyne J
Ginsenoyne J is found in tea. Ginsenoyne J is a constituent of the roots of Panax ginseng. Constituent of the roots of Panax ginseng. Ginsenoyne J is found in tea.
Isoavocadienofuran
Isoavocadienofuran is found in avocado. Isoavocadienofuran is a component of Avocatin X, a constituent of the seeds of Persea gratissima (avocado Component of Avocatin X, a constituent of the seeds of Persea gratissima (avocado). Isoavocadienofuran is found in avocado and fruits.
MG(10:0/0:0/0:0)
MG(10:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(10:0/0:0/0:0) is made up of one decanoyl(R1).
Valerylcarnitine
Valerylcarnitine is an acylcarnitine. More specifically, it is an valeric acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Valerylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine valerylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular valerylcarnitine is elevated in the blood or plasma of individuals with exudative age-related macular degeneration (PMID: 32120889), type 2 Diabetes Mellitus (PMID: 31782507, PMID: 20111019), obesity (PMID: 20111019), acute cerebral infarction (PMID: 29265114), diastolic heart failure (PMID: 26010610), systolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with pregnancy (PMID: 24704061 - in serum of pregnant women with fetus with CHD). Valerylcarnitine can also be found cerebrospinal fluid (CSF), and urine. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
8,8-Diethoxy-2,6-dimethyl-2-octanol
8,8-Diethoxy-2,6-dimethyl-2-octanol is used in citrus fruit flavourin It is used in citrus fruit flavouring
alpha-Amylcinnamyl acetate
alpha-Amylcinnamyl acetate is a flavouring ingredien Flavouring ingredient
Heptyl cinnamate
Heptyl cinnamate is a flavouring ingredient. Flavouring ingredient
(S)-3-Methylthiohexyl hexanoate
(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
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.
MG(0:0/10:0/0:0)
MG(0:0/10:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(0:0/10:0/0:0) is made up of one decanoyl(R2).
Levomilnacipran
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators
Piquindone
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
N,1-Dimethyl-N-(4-methylphenyl)piperidine-2-carboxamide
1ST40360
Sophocarpine is a natural product found in Daphniphyllum oldhamii, Sophora viciifolia, and other organisms with data available. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1].
Undecylthioacetic acid
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
Albertin|ent-7,11-didehydro-matridin-15-one|Leontalbinin
4-allyl-3-methyl-1,2,3,4,5,6,11,11a-octahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-10-one|N-Methyl-albin|N-Methylalbin
(7R)-(14at)-3,4,7,9,10,11,13,14,14a-decahydro-2H-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-6-one|5,6-Dehydro-17-oxo-spartein|5,6-didehydro-17-oxosparteine|Delta5(6)-Dehydro-17-oxo-spartein|Delta5-Dehydro-17-oxo-spartein
(Z)-9-Heptadecene-4,6-diyne-1-ol|cis-Heptadecen-(9)-diin-(4,6)-ol-(1)|Heptadec-9c-en-4,6-diin-1-ol|heptadec-9c-ene-4,6-diyn-1-ol|Heptadecen-(9c)-diin-(4,6)-ol-(1)
(Z)-9-Heptadecene-4,6-diyne-8-ol|heptadec-9c-ene-4,6-diyn-8-ol|Heptadecen-(9c)-diin-(4,6)-ol-(8)
(E)-14,15,16-trinorlabda-8(17),11-dien-13-al|14,15,16-Trinor-8(17),11-labdadien-13-al
2-methoxyfuranodiene|8??-Methoxyfuranodiene|methoxyfuranodiene
16-Heptadecene-4,6-diyne-8-ol|heptadec-16-ene-4,6-diyn-8-ol|Heptadecen-(16)-diin-(4,6)-ol-(8)
(S)-panaxjapyne A|(Z)-heptadec-9-ene-4,6-diyn-(3S)-ol|panaxjapyne A
6alpha,15beta-epoxyeremophila-7(11)-en-8alpha,12-olide
(1R*,2R*,4R*,7R*,12R*)-8-methylenetetracyclo[5.3.2.0(2,4).0(4,12)]dodec-2-ylacetic acid methyl ester|chinopine B
(-)-(R)-(ar)-curcumen-12-oic acid methyl ester|(R)-Methyl curcumenoate
4-hydroxy-15-hexadecene-5,7-diynyl-2-one|homomontiporyne J
mepivacaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Sophocarpine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2290 Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1].
12-METHOXY-4,4-BISNOR-5α-8,11,13-PODOCARPATRIEN-3-OL
5-propylideneisolongifolane
Glyceryl monocaprate
C78276 - Agent Affecting Digestive System or Metabolism
(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone
2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol
1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile
N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine,oxolane-2,5-dione
2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)ethanone
(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid
2-(2-Isopropylphenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
methyl-2,6,10-trimethyl-2,5,9-cyclododecatriene-1-yl ketone
(2R,5R)-(+)-2-TERT-BUTYL-3-METHYL-5-BENZYL-4-IMIDAZOLIDINONE
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine,phenol
2-(4-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
tert-butyl 2-(bis(2-aminoethyl)amino)ethylcarbamate
ethyl [2-(boc-amino)ethylamino]acetate hydrochloride
4,4,5,5-Tetramethyl-2-(2,4,6-trimethylphenyl)-1,3,2-dioxaborolane
1,5-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
5-Methoxy-N-methyl-N-(1-methylethyl)-1H-indole-3-ethanamine
3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1)
Levomilnacipran
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Quinelorane
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl-
MG(10:0/0:0/0:0)
MG(10:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(10:0/0:0/0:0) is made up of one decanoyl(R1).
Geroquinol
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
3-(3-Methylbutyryloxy)-4-(trimethylaminio)butanoic acid
3-Carboxylato-2-(2-methylbutyryloxy)-N,N,N-trimethyl-1-propaneaminium
N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester
[(2R)-3-carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium
[3-Carboxylato-2-(pentanoyloxy)propyl]trimethylaminium
(3R)-3,13-dihydroxytridecanoic acid
A dihydroxy monocarboxylic acid that is 13-hydroxytridecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
(3R,12R)-3,12-dihydroxytridecanoic acid
An (omega-1)-hydroxy fatty acid that is (12R)-12-hydroxytridecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
[(2R)-3-carboxy-2-(2-methylbutanoyloxy)propyl]-trimethylazanium
[(2S)-3-carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium
[(2S)-3-carboxy-2-pentanoyloxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-pentanoyloxypropyl]-tris(trideuteriomethyl)azanium
(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoic acid
15-Methoxybicyclo(8.3.2)pentadeca-1(13),10(15),11-trien-14-one
(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoic acid
(9s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one
8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-ol
4-(6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl)phenol
15-methyl-6,17-diazapentacyclo[9.5.1.0¹,⁶.0²,¹⁰.0²,¹³]heptadecane
(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one
2-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,4-diol
2-methoxy-4,7-dimethyl-2-(2-methylprop-1-en-1-yl)-3,4-dihydro-1-benzopyran
7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one
methyl (2e)-5-(4-isopropylphenyl)-2-methylpent-2-enoate
4-[(3s)-6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl]phenol
13,14-dehydrosophoridine
{"Ingredient_id": "HBIN000997","Ingredient_name": "13,14-dehydrosophoridine","Alias": "NA","Ingredient_formula": "C15H22N2O","Ingredient_Smile": "NA","Ingredient_weight": "246.35","OB_score": "65.34313997","CAS_id": "68398-59-4","SymMap_id": "SMIT08175","TCMID_id": "NA","TCMSP_id": "MOL006573","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-2,3-dehydro-10-oxo-α-isosparteine
{"Ingredient_id": "HBIN003955","Ingredient_name": "(+)-2,3-dehydro-10-oxo-\u03b1-isosparteine","Alias": "NA","Ingredient_formula": "C15H22N2O","Ingredient_Smile": "C1CCN2CC3CC(C2C1)C(=O)N4C3CCC=C4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methoxyfuranodiene
{"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
{"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"}
(+)-7,11-dehydromatrine,(leontalbinine)
{"Ingredient_id": "HBIN012861","Ingredient_name": "(+)-7,11-dehydromatrine,(leontalbinine)","Alias": "NA","Ingredient_formula": "C15H22N2O","Ingredient_Smile": "NA","Ingredient_weight": "246.35","OB_score": "62.08261476","CAS_id": "16665-57-9","SymMap_id": "SMIT08166","TCMID_id": "NA","TCMSP_id": "MOL006562","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8α-methoxyfuranodiene
{"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"}
