Exact Mass: 544.2407
Exact Mass Matches: 544.2407
Found 308 metabolites which its exact mass value is equals to given mass value 544.2407
,
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.
Morellin
Morellin is found in fruits. Morellin is a constituent of seeds of Garcinia morella (batuan)
10-Deacetylbaccatin III
Mimic A
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.
2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta,10,11-trihydroxybisabol-7(14)-ene
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
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
Cys Phe Ile Tyr
Cys Phe Leu Tyr
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Phe Cys Tyr Ile
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Phe Phe Thr Met
Phe His Asn Gln
Phe His Gln Asn
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Phe Ile Tyr Cys
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Phe Met Phe Thr
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Phe Tyr Cys Ile
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Phe Tyr Ile Cys
Phe Tyr Leu Cys
Gly Pro Trp Trp
Gly Trp Pro Trp
Gly Trp Trp Pro
His Phe Asn Gln
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Ile Cys Phe Tyr
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Ile Tyr Cys Phe
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Leu Cys Phe Tyr
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1,5-Methano-11H-furo(3,2-g)pyrano(3,2-b)xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-alpha,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-
[2-[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-8-yl] 3-methoxybenzoate
Ananolignan I
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
Ananolignan H
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal
7-Deacetyl-7-benzoylgedunin
A limonoid that is gedunin in which the acetoxy group at position 7 is replaced by a benzoyloxy group. Isolated from Azadirachta indica, it exhibits cytotoxic activity against HL60 leukemia cells.
(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
[4-[Hydroxy(diphenyl)methyl]-1-piperidinyl]-[4-[hydroxy(diphenyl)methyl]-1-triazolyl]methanone
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
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 (4s,5s,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
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
methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
2-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
(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
methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(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
(3s,5s)-2-[(1s,2r,3r,4r,5r)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
(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"}