Exact Mass: 246.162
Exact Mass Matches: 246.162
Found 135 metabolites which its exact mass value is equals to given mass value 246.162,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
4-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
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]
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.
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
2-methoxyfuranodiene|8??-Methoxyfuranodiene|methoxyfuranodiene
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
12-METHOXY-4,4-BISNOR-5α-8,11,13-PODOCARPATRIEN-3-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
ethyl [2-(boc-amino)ethylamino]acetate hydrochloride
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
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
[(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
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
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
methyl (2e)-5-(4-isopropylphenyl)-2-methylpent-2-enoate
4-[(3s)-6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl]phenol
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"}
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"}
