Exact Mass: 458.1244568
Exact Mass Matches: 458.1244568
Found 128 metabolites which its exact mass value is equals to given mass value 458.1244568,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Raltitrexed
Raltitrexed is only found in individuals that have used or taken this drug. It is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.Raltitrexed is an antineoplastic Agents and folic acid antagonists. Raltitrexed inhibits thymidylate synthase (TS) leading to DNA fragmentation and cell death. It is transported into cells via a reduced folate carrier. Inside the cell Raltitrexed is extensively polyglutamated, which enhances thymidylate synthase inhibitory power and duration. Inhibition of this enzyme results in decreased synthesis of thymidine triphosphate which is required for DNA synthesis. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01064
FMNH2
C17H23N4O9P (458.12025980000004)
FMNH2 is the reduced form of flavin mononucleotide. It is a substrate of the enzyme FMN reductase (EC 1.5.1.29), an enzyme that catalyzes the chemical reaction FMNH2 + NAD(P)+ <=> FMN + NAD(P)H + H+. Flavin mononucleotide (FMN), or riboflavin-5′-phosphate, is a biomolecule produced from riboflavin (vitamin B2) by the enzyme riboflavin kinase and functions as prosthetic group of various oxidoreductases including NADH dehydrogenase. During a catalytic cycle, the reversible interconversion of oxidized (FMN), semiquinone (FMNH•) and reduced (FMNH2) forms occurs in the various oxidoreductases. FMN is a stronger oxidizing agent than NAD and is particularly useful because it can take part in both one- and two-electron transfers. FMNH is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). [HMDB]
5a,11a-Dehydrooxytetracycline
C22H22N2O9 (458.13252420000003)
A member of the class of tetracyclines with formula C22H22N2O9 that is an intermediate in the biosynthesis of oxytetracycline by Streptomyces rimosus.
6'-O-Acetyldaidzin
Isolated from soybean seeds (Glycine max); potential nutriceutical. 6-Acetyldaidzin is found in many foods, some of which are soy yogurt, miso, soy milk, and soy bean. 6-O-Acetyldaidzin is found in miso. 6-O-Acetyldaidzin is isolated from soybean seeds (Glycine max); potential nutriceutica
Chrysin 7-(4-acetylglucoside)
6-O-Acetyldaidzin
6,6,7,8-Tetra-Me ether,di-Ac-2,5,6,6,7,8-Hexahydroxyflavone
8-O-beta-D-(6-O-acetyl)glucopyranosyl-chrysophanol|8-O-??-D-(6-O-Acetyl)glucopyranosylchrysophanol|chrysophanol-8-O-beta-D-(6-O-acetyl)glucopyranoside|emodin-8-O-beta-D-((6)-O-acetyl)glucopyranoside
alpha-D-Glcp-(1->4)-6-O-(1-L-maloyl)-alpha/beta-D-Glcp|veracylglucan B
6-acetoxy-1-hydroxy-2-methylanthraquinone-3-O-alpha-L-rhamnopyranoside|rubiacordone A
7-O-beta-D-[(6-acetyl)glucopyranosyl]chrysin|chrysin 7-(6-O-acetyl)-O-beta-D-glucopyranoside
17-dihydro-17-hydroxy-18-chlorovernonataloide
C21H27ClO9 (458.1343522000001)
6-trans-<2-O-(alpha-rhamnopyranosyl)>-ethenyl-5,7,4-trihydroxyflavone|drymariatin A
(±)-Phrymarolin II
5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl acetate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.247 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.248
Raltitrexed
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Ala Cys Cys Tyr
Ala Cys Tyr Cys
Ala Tyr Cys Cys
Cys Ala Cys Tyr
Cys Ala Tyr Cys
Cys Cys Ala Tyr
Cys Cys Phe Ser
Cys Cys Ser Phe
Cys Cys Tyr Ala
Cys Phe Cys Ser
Cys Phe Ser Cys
Cys Ser Cys Phe
Cys Ser Phe Cys
Cys Tyr Ala Cys
Cys Tyr Cys Ala
Phe Cys Cys Ser
Phe Cys Ser Cys
Phe Ser Cys Cys
Ser Cys Cys Phe
Ser Cys Phe Cys
Ser Phe Cys Cys
Tyr Ala Cys Cys
Tyr Cys Ala Cys
Tyr Cys Cys Ala
6-o-acetyldaidzin
Ethanaminium, N, N,N-triethyl-, (T-4)-tetrachloronickelate(2-) (2:1)
[bis(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methoxy]boronic acid
N-(2-fluorophenyl)-2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
C20H19FN6O4S (458.11724660000004)
2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-[(4-nitrophenyl)azo]thiophene-3-carbonitrile
C22H18N8O2S (458.12733679999997)
BMS-2
C25H16F2N4O3 (458.1190409999999)
3,4-DI-O-ACETYL-1,2-O-ISOPROPYLIDENE-5-O-TOSYL-ALPHA-L-SORBOPYRANSE
C20H26O10S (458.1246616000001)
POLY(STYRENE-CO-VINYLBENZYL CHLORIDE-CO-DIVINYLBENZENE)
ethylene glycol bis[4-(2-fluorobenzoyl)phenyl] ether
C28H20F2O4 (458.13295840000006)
n-[(9-beta-d-Ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine
6-O-ACETYLDAIDZIN
(1S,4aS,11R,12R,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11,12-tetrahydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate
C22H22N2O9 (458.13252420000003)
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
C22H20F2N4O3S (458.12241140000003)
3-deoxy-8-O-(3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl)-alpha-D-manno-oct-2-ulopyranosonic acid
4-[3-(2-Furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester
N-(2,4-Difluorophenyl)-2-[2-methylimino-4-oxo-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazolidin-5-yl]acetamide
C22H20F2N4O3S (458.12241140000003)
N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide
2-[(2S,4aR,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aR)-8-[(4-chlorobenzoyl)amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol
C17H23N4O9P (458.12025980000004)
Tomudex
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01064
5a,11a-dehydrooxytetracycline zwitterion
C22H22N2O9 (458.13252420000003)
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of 5a,11a-dehydrooxytetracycline; major species at pH 7.3.
daidzein 7-(6-O-acetyl-beta-D-glucoside)
A glycosyloxyisoflavone that is daidzein in which the phenolic hydrogen at position 7 has been replaced by a 6-O-acetyl-beta-D-glucosyl residue.
{3,4,5-trihydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxy]oxan-2-yl}methyl acetate
(1r,3ar,4r,6as)-4-(2h-1,3-benzodioxol-5-yloxy)-1-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
5,3'-diacetoxy-3,6,7,4'-tetramethoxyflavone
{"Ingredient_id": "HBIN011014","Ingredient_name": "5,3'-diacetoxy-3,6,7,4'-tetramethoxyflavone","Alias": "NA","Ingredient_formula": "C23H22O10","Ingredient_Smile": "CC(=O)OC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC(=O)C)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-β-d-(6'-o-acetyl)glucopyranosylchrysopha-nol
{"Ingredient_id": "HBIN013845","Ingredient_name": "8-o-\u03b2-d-(6'-o-acetyl)glucopyranosylchrysopha-nol","Alias": "NA","Ingredient_formula": "C23H22O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "401","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxan-2-yl]methyl acetate
3-hydroxy-4-oxo-4-[(4,5,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]butanoic acid
[3-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-2-yl]methyl acetate
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxy]oxan-2-yl]methyl acetate
2-(acetyloxy)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
5-hydroxy-6-methyl-9,10-dioxo-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}anthracen-2-yl acetate
2-(acetyloxy)-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
[(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-2-yl]methyl acetate
5-hydroxy-6-methyl-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]anthracen-2-yl acetate
(2s,3r,4r,5r,6s)-2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl acetate
17-chloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,22(26),23-dodecaene-5,13,16,24-tetrol
C28H23ClO4 (458.12847880000004)
(3ar,4s,6ar,8s,9r,9as,9bs)-9-[(acetyloxy)methyl]-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2s)-3-chloro-2-hydroxy-2-methylpropanoate
C21H27ClO9 (458.1343522000001)
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(1e)-2-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}ethenyl]chromen-4-one
{3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxan-2-yl}methyl acetate
5-[5-(acetyloxy)-3,6,7-trimethoxy-4-oxochromen-2-yl]-2-methoxyphenyl acetate
4-(acetyloxy)-2-methoxy-5-(3,5,7-trimethoxy-4-oxochromen-2-yl)phenyl acetate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]ethenyl}chromen-4-one
3,4'-dihydroxy-6-methyl-10'-(2-oxopropyl)-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-3',5',7'-triene-2',4,9',13'-tetrone
4-chloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,22(26),23-dodecaene-5,13,16,24-tetrol
C28H23ClO4 (458.12847880000004)
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl acetate
(1r,2e,8s,10r,11s)-6-[(acetyloxy)methyl]-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl (2s)-3-chloro-2-hydroxy-2-methylpropanoate
C21H27ClO9 (458.1343522000001)
(2s,3s,4r,5r,6s)-4,5-dihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]-2-(hydroxymethyl)oxan-3-yl acetate
(3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}butanoic acid
(1's,2r,3s,6s,10's,11'r,15'r)-3,4'-dihydroxy-6-methyl-10'-(2-oxopropyl)-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-3',5',7'-triene-2',4,9',13'-tetrone
2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl acetate
4-(2h-1,3-benzodioxol-5-yloxy)-1-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
9-[(acetyloxy)methyl]-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 3-chloro-2-hydroxy-2-methylpropanoate
C21H27ClO9 (458.1343522000001)