Exact Mass: 650.3302100000001
Exact Mass Matches: 650.3302100000001
Found 44 metabolites which its exact mass value is equals to given mass value 650.3302100000001
,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Thapsigargin
Thapsigargin is an organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. It has a role as an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor and a calcium channel blocker. It is a sesquiterpene lactone, an organic heterotricyclic compound and a butyrate ester. Thapsigargin is a natural product found in Thapsia gymnesica, Thapsia villosa, and Thapsia garganica with data available. A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES. C1907 - Drug, Natural Product > C28269 - Phytochemical > C93252 - Sesquiterpene Lactone D004791 - Enzyme Inhibitors (-)-Thapsigargin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=67526-95-8 (retrieved 2024-11-06) (CAS RN: 67526-95-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Thapsigargin
(20R,22R)-14alpha,20,27-trihydroxy-1-oxowitha-5,24-dienolide-3beta-(O-beta-D-glucopyranoside)
(14R,17S,20S,22R)-14,17,20-trihydroxy-3beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide|coagulin L
(3beta,16beta)-3,16-dihydroxypregna-5,20-diene-20-carboxylic acid gamma-lactone 3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside|pallidifloside D
27-O-beta-D-glucopyranosyl viscosalactone B|27-O-beta-D-glucopyranosylviscosalactone B
7,13,17-O-Triacetyl-5-O-(2-methylbutyryl)-3-O-propanoyl-14-oxopremyrsinol
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_26.7\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_major
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_85.0\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_16.4\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_33.0\\%
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside
(2s)-4-{[(2s)-4-[(1r,4ar,5s,6r,8s,8ar)-5-[(2s,3as,6ar)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethoxy]-4-oxobutan-2-yl]oxy}-4-oxobutan-2-yl (3s)-3-hydroxybutanoate
6-(1-{5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxyethyl)-4-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydropyran-2-one
6-[1-(1,3a-dihydroxy-9a,11a-dimethyl-9-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h,3h,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
5,6-dihydroxy-2,16-dimethyl-15-{1-[4-methyl-6-oxo-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl}-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one
(4s,5r,7r,8r,13r,16s,19r,22r)-8-{[(2s,4s,5r,6r)-5-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one
atratoglaucoside a
{"Ingredient_id": "HBIN017316","Ingredient_name": "atratoglaucoside a","Alias": "NA","Ingredient_formula": "C34H50O12","Ingredient_Smile": "CC1C(C(CC(O1)OC2C(OC(C(C2OC)O)OC3CCC4(C5CCC6=COC7(C6C(CO7)OC(=O)C5CC=C4C3)C)C)C)O)O","Ingredient_weight": "650.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14427","TCMID_id": "1991","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101109728","DrugBank_id": "NA"}