Exact Mass: 544.2209
Exact Mass Matches: 544.2209
Found 329 metabolites which its exact mass value is equals to given mass value 544.2209
,
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
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
8,10-dihydroxydimethyl-2-methyl-(2E,6E)-octadienoyl catalpol
(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
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Glu Phe Tyr Ser
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Glu Trp Asn Pro
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Phe Asp Thr Tyr
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Phe Tyr Ser Glu
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Pro Tyr His Glu
Gln Asp Pro Trp
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Ser Glu Phe Tyr
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Trp Asp Gln Pro
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Trp Glu Pro Asn
Trp Asn Glu Pro
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Trp Pro Asn Glu
Trp Pro Gln Asp
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Tyr Asp Phe Thr
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Tyr Tyr Glu Ala
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-
4,4-[4,4-Biphenyldiylbis(phenylimino)]dibenzaldehyde
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].
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
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(pentan-2-yloxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
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"}