Exact Mass: 544.226105
Exact Mass Matches: 544.226105
Found 377 metabolites which its exact mass value is equals to given mass value 544.226105
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
10-Deacetylbaccatin III
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.908 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.902 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2261 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
10-Deacetylbaccatin III
Etalocib
C308 - Immunotherapeutic Agent
Satratoxin G
10-Deacetylbaccatin
10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III. 10-Deacetylbaccatin III is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
Satratoxin G
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
(2S,3R,12S)-13-Deoxy-2,3-epoxy-2,3,7,8-tetrahydro-13-oxo-satratoxin H
Baccharinoid B 27
Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate
lancifodilactone G
A triterpenoid that is a nortriterpenoid isolated from Schisandra lancifolia and has been shown to exhibit anti-HIV activity.
(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin
(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin|lanciferine
cipatrijugin H|methyl rel-[(4R,4aS,5S,6R,7aR,8S,10R,11aS,12aS)-10-(acetyloxy)-4-(furan-3-yl)-dodecahydro-5-hydroxy-4a,7a,9,9-tetramethyl-13-methylidene-2,7-dioxo-4H-6,12a-methanopyrano[4,3-b][1]benzoxocin-8-yl]acetate
(3R,3aR,4aS,5S,6S,8S,8aS,9S)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-2,3,4,4a,5,6,7,8,8a,9-decahydro-3,5,8,9-tetrahydroxy-1,8a,12,12-tetramethyl-3a,9-(methanoxymethano)-3aH-benz[f]inden-10-one|tasumatrol P
(3R,3aR,4aS,5S,6S,8S,8aS,9S)-6-(acetyloxy)-2,3,4,4a,7,8,8a,9-octahydro-2,3,8,9-tetrahydroxy-1,8a,12,12-tetramethyl-2-phenylspiro[1,3-dioxolane-4,5(6H)-[3a,9](methanoxymethano)[3aH]benz[f]inden]-10-one|tasumatrol S
20-acetoxy-15-(benzoyloxy)-2alpha,4alpha,5alpha,7beta-tetrahydroxy-9,10-dioxo-11(15->1)abeo-tax-11(12)-ene|taiwantaxin A
Phe Thr Tyr Asp
C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3,4:5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_major
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_69.2\\%
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_17.5\\%
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,?.0²,?.0¹²,¹?]octadecan-12-yl]prop-2-enoate
Ala Glu Tyr Tyr
Ala Tyr Glu Tyr
Ala Tyr Tyr Glu
Cys Phe Ile Tyr
Cys Phe Leu Tyr
Cys Phe Tyr Ile
Cys Phe Tyr Leu
Cys Ile Phe Tyr
Cys Ile Tyr Phe
Cys Leu Phe Tyr
Cys Leu Tyr Phe
Cys Tyr Phe Ile
Cys Tyr Phe Leu
Cys Tyr Ile Phe
Cys Tyr Leu Phe
Asp Phe Thr Tyr
Asp Phe Tyr Thr
Asp Pro Gln Trp
Asp Pro Trp Gln
Asp Gln Pro Trp
Asp Gln Trp Pro
Asp Thr Phe Tyr
Asp Thr Tyr Phe
Asp Trp Pro Gln
Asp Trp Gln Pro
Asp Tyr Phe Thr
Asp Tyr Thr Phe
Glu Ala Tyr Tyr
Glu Phe Ser Tyr
Glu Phe Tyr Ser
Glu His Pro Tyr
Glu His Tyr Pro
Glu Asn Pro Trp
Glu Asn Trp Pro
Glu Pro His Tyr
Glu Pro Asn Trp
Glu Pro Trp Asn
Glu Pro Tyr His
Glu Ser Phe Tyr
Glu Ser Tyr Phe
Glu Trp Asn Pro
Glu Trp Pro Asn
Glu Tyr Ala Tyr
Glu Tyr Phe Ser
Glu Tyr His Pro
Glu Tyr Pro His
Glu Tyr Ser Phe
Glu Tyr Tyr Ala
Phe Cys Ile Tyr
Phe Cys Leu Tyr
Phe Cys Tyr Ile
Phe Cys Tyr Leu
Phe Asp Thr Tyr
Phe Asp Tyr Thr
Phe Glu Ser Tyr
Phe Glu Tyr Ser
Phe Phe Met Thr
Phe Phe Thr Met
Phe Ile Cys Tyr
Phe Ile Tyr Cys
Phe Leu Cys Tyr
Phe Leu Tyr Cys
Phe Met Phe Thr
Phe Met Thr Phe
Phe Ser Glu Tyr
Phe Ser Tyr Glu
Phe Thr Asp Tyr
Phe Thr Phe Met
Phe Thr Met Phe
Phe Tyr Cys Ile
Phe Tyr Cys Leu
Phe Tyr Asp Thr
Phe Tyr Glu Ser
Phe Tyr Ile Cys
Phe Tyr Leu Cys
Phe Tyr Ser Glu
Phe Tyr Thr Asp
His Glu Pro Tyr
His Glu Tyr Pro
His Pro Glu Tyr
His Pro Tyr Glu
His Tyr Glu Pro
His Tyr Pro Glu
Ile Cys Phe Tyr
Ile Cys Tyr Phe
Ile Phe Cys Tyr
Ile Phe Tyr Cys
Ile Tyr Cys Phe
Ile Tyr Phe Cys
Leu Cys Phe Tyr
Leu Cys Tyr Phe
Leu Phe Cys Tyr
Leu Phe Tyr Cys
Leu Tyr Cys Phe
Leu Tyr Phe Cys
Met Phe Phe Thr
Met Phe Thr Phe
Met Thr Phe Phe
Asn Glu Pro Trp
Asn Glu Trp Pro
Asn Pro Glu Trp
Asn Pro Trp Glu
Asn Trp Glu Pro
Asn Trp Pro Glu
Pro Asp Gln Trp
Pro Asp Trp Gln
Pro Glu His Tyr
Pro Glu Asn Trp
Pro Glu Trp Asn
Pro Glu Tyr His
Pro His Glu Tyr
Pro His Tyr Glu
Pro Asn Glu Trp
Pro Asn Trp Glu
Pro Gln Asp Trp
Pro Gln Trp Asp
Pro Trp Asp Gln
Pro Trp Glu Asn
Pro Trp Asn Glu
Pro Trp Gln Asp
Pro Tyr Glu His
Pro Tyr His Glu
Gln Asp Pro Trp
Gln Asp Trp Pro
Gln Pro Asp Trp
Gln Pro Trp Asp
Gln Trp Asp Pro
Gln Trp Pro Asp
Ser Glu Phe Tyr
Ser Glu Tyr Phe
Ser Phe Glu Tyr
Ser Phe Tyr Glu
Ser Tyr Glu Phe
Ser Tyr Phe Glu
Thr Asp Phe Tyr
Thr Asp Tyr Phe
Thr Phe Asp Tyr
Thr Phe Phe Met
Thr Phe Met Phe
Thr Phe Tyr Asp
Thr Met Phe Phe
Thr Tyr Asp Phe
Thr Tyr Phe Asp
Trp Asp Pro Gln
Trp Asp Gln Pro
Trp Glu Asn Pro
Trp Glu Pro Asn
Trp Asn Glu Pro
Trp Asn Pro Glu
Trp Pro Asp Gln
Trp Pro Glu Asn
Trp Pro Asn Glu
Trp Pro Gln Asp
Trp Gln Asp Pro
Trp Gln Pro Asp
Tyr Ala Glu Tyr
Tyr Ala Tyr Glu
Tyr Cys Phe Ile
Tyr Cys Phe Leu
Tyr Cys Ile Phe
Tyr Cys Leu Phe
Tyr Asp Phe Thr
Tyr Asp Thr Phe
Tyr Glu Ala Tyr
Tyr Glu Phe Ser
Tyr Glu His Pro
Tyr Glu Pro His
Tyr Glu Ser Phe
Tyr Glu Tyr Ala
Tyr Phe Cys Ile
Tyr Phe Cys Leu
Tyr Phe Asp Thr
Tyr Phe Glu Ser
Tyr Phe Ile Cys
Tyr Phe Leu Cys
Tyr Phe Ser Glu
Tyr Phe Thr Asp
Tyr His Glu Pro
Tyr His Pro Glu
Tyr Ile Cys Phe
Tyr Ile Phe Cys
Tyr Leu Cys Phe
Tyr Leu Phe Cys
Tyr Pro Glu His
Tyr Pro His Glu
Tyr Ser Glu Phe
Tyr Ser Phe Glu
Tyr Thr Asp Phe
Tyr Thr Phe Asp
Tyr Tyr Ala Glu
Tyr Tyr Glu Ala
LY293111
5,5-dicyano-3-(4-sulfobutyl)-1,1,3-triethylimidacarbocyanine betaine
3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-
5-O-Dimethoxytrityl-deoxythymidine
5'-O-DMT-dT (5'-O-(4,4'-Dimethoxytrityl)thymidine) is a nucleoside derivative which can be used in the preparation of oligonucleotides[1].
Lurasidone Inactive Metabolite 14283
C28H37ClN4O3S (544.2274762000001)
Ananolignan I
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
Ananolignan H
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] undecanoate
methyl 2-[(1r,2r,5r,6r,13s,14r,16s)-14-(acetyloxy)-6-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
2-[(1s,2r,4r,4ar,6r,8r,8as)-4-(acetyloxy)-8-(benzoyloxy)-1-(carboxymethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
methyl (2r)-2-[(1r,2s,5r,6r,13r,14s,16s)-14-(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]-2-hydroxyacetate
(1'z,2r,6'r,11'r,13'r,15'r,16'r,19'z,23's,27'r)-23'-acetyl-27'-hydroxy-9'-(hydroxymethyl)-15'-methyl-4',12',17',24'-tetraoxaspiro[oxirane-2,14'-pentacyclo[21.3.1.1¹³,¹⁶.0⁶,¹¹.0⁶,¹⁵]octacosane]-1',9',19'-triene-3',18'-dione
(1r,2s,3r,4s,5s,7s,8s,9s)-4-[(acetyloxy)methyl]-4,5,7,9-tetrahydroxy-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadec-10-en-2-yl benzoate
6,11-dihydroxy-3,7-dimethyl-8-(5-oxo-2h-furan-3-yl)-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.0³,¹⁵.0⁴,¹².0⁷,¹¹.0¹⁹,²⁷.0²³,²⁷]octacos-15-en-5-one
(1r,3s,7s,10r,12r,13s,15r,17s,18r,21s,22r,23r,25r,29r)-12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosane-5,14,19,24-tetrone
methyl 2-(acetyloxy)-2-[6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1¹¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-16-yl]acetate
[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-tetrahydro-1h-2-benzopyran-5-yl][4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl acetate
(1'r,2s,3's,5r,5's,7's,8's,9's,13'r)-5,7',9',13'-tetrahydroxy-8',11',14',14'-tetramethyl-16'-oxo-5-phenyl-15'-oxaspiro[1,4-dioxolane-2,4'-tetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadecan]-10'-en-5'-yl acetate
(1s,2s,3r,4s,7r,9s,10s,11r,12r)-4-(acetyloxy)-1,9,11,12-tetrahydroxy-10,14,17,17-tetramethyl-15-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,3s,7s,10r,12r,13s,15s,17s,18r,21s,22r,23r,25r,29r)-12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosane-5,14,19,24-tetrone
methyl 2-(acetyloxy)-2-[6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-9-en-16-yl]acetate
methyl 2-[(1r,2s,5r,6r,9r,10s,13r,14s,16s)-14-(acetyloxy)-6-(furan-3-yl)-9,13-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-16-yl]acetate
methyl (2s)-2-[(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-17-(acetyloxy)-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-15-yl]-2-hydroxyacetate
2-[4-(acetyloxy)-8-(benzoyloxy)-1-(carboxymethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
10-deacetyl baccatin iii
{"Ingredient_id": "HBIN000086","Ingredient_name": "10-deacetyl baccatin iii","Alias": "NA","Ingredient_formula": "C29H36O10","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "544.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4721","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10995177","DrugBank_id": "NA"}
13-epi-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN001232","Ingredient_name": "13-epi-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C29H36O10","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "544.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6879","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5317065","DrugBank_id": "NA"}