Exact Mass: 630.2577178

Exact Mass Matches: 630.2577178

Found 106 metabolites which its exact mass value is equals to given mass value 630.2577178, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   
   

Brassica napus non-fluorescent chlorophyll catabolite 3

6-[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-5-carboxylic acid

C34H38N4O8 (630.2689508)


Brassica napus non-fluorescent chlorophyll catabolite 3 is found in brassicas. Brassica napus non-fluorescent chlorophyll catabolite 3 is isolated from rape cotyledons. Isolated from rape cotyledons. Brassica napus non-fluorescent chlorophyll catabolite 3 is found in brassicas.

   

Caspase-1 Inhibitor VI

2-[(2-{[(benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-N-{1-[(5-fluoro-1-methoxy-1,4-dioxopentan-3-yl)-C-hydroxycarbonimidoyl]ethyl}-3-methylbutanimidate

C31H39FN4O9 (630.2700936)


   

Nonioside B

(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl octanoate

C26H46O17 (630.2734866000001)


Constituent of the fruit of Indian mulberry (Morinda citrifolia), a plant eaten as a famine food and occasionally as a staple in the Pacific region [DFC]. Nonioside B is found in fruits.

   

Ddabvi

7,11-Methano-1H-cyclodeca(3,4)benz(1,2-b)oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2aR-(2aalpha,4beta,4abeta,5alpha,6beta,9alpha,11alpha,12alpha,12aalph,12balpha))-

C33H42O12 (630.2676132)


9-Dihydro-13-acetylbaccatin III is a natural product found in Taxus wallichiana with data available. 9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate. 9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate.

   
   

13-Acetyl-9-dihydrobaccatin III

13-Acetyl-9-dihydrobaccatin III

C33H42O12 (630.2676132)


9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate. 9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate.

   
   
   
   
   
   
   
   
   
   
   

15-Benzoyl-7,9-dideacetyl-abeo-baccatin VI

15-Benzoyl-7,9-dideacetyl-abeo-baccatin VI

C33H42O12 (630.2676132)


   
   
   
   
   
   

ajugatakasin A

ajugatakasin A

C34H46O11 (630.3039966)


A diterpene lactone isolated from the whole plants of Ajuga ciliata.

   

16alpha-acetoxy-5,6-dehydroasclepin

16alpha-acetoxy-5,6-dehydroasclepin

C33H42O12 (630.2676132)


   

3,3-(3-ethylidene-16-hydroxy-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-1,2,3,15,16,19,22,24-octahydro-21H-biline-8,12-diyl)-bis-propionic acid dimethyl ester|Aplysioviolin

3,3-(3-ethylidene-16-hydroxy-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-1,2,3,15,16,19,22,24-octahydro-21H-biline-8,12-diyl)-bis-propionic acid dimethyl ester|Aplysioviolin

C35H42N4O7 (630.3053342000001)


   
   
   
   
   

Hexa-Me ether-Globiflorin 3B2

Hexa-Me ether-Globiflorin 3B2

C36H38O10 (630.2464848)


   
   

rel-(4-hydroxy-3,5-dimethoxyphenyl){tetrahydro-5-{4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl}-4-(hydroxymethyl)furan-3-yl}methanone|seslignanoccidentaliol B

rel-(4-hydroxy-3,5-dimethoxyphenyl){tetrahydro-5-{4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl}-4-(hydroxymethyl)furan-3-yl}methanone|seslignanoccidentaliol B

C32H38O13 (630.2312297999999)


   

Tricolorin A acetate

Tricolorin A acetate

C35H34O11 (630.2101014)


   
   

mappicine 20-O-beta-D-gentiobioside

mappicine 20-O-beta-D-gentiobioside

C31H38N2O12 (630.2424628)


   

Hybrimycin A1|Hybrimycin A2|Hybrimycin B1|Hybrimycin B2

Hybrimycin A1|Hybrimycin A2|Hybrimycin B1|Hybrimycin B2

C23H46N6O14 (630.3071855999999)


   

(2alpha,4alpha,5alpha,7beta,9beta,10beta)-11(15-1)-Abeo-2,20-epoxy-11-taxene-4,5,7,9,10,13,15-heptol

(2alpha,4alpha,5alpha,7beta,9beta,10beta)-11(15-1)-Abeo-2,20-epoxy-11-taxene-4,5,7,9,10,13,15-heptol

C33H42O12 (630.2676132)


   

10-O-benzoyl-15-O-acetyltaxumairol X

10-O-benzoyl-15-O-acetyltaxumairol X

C33H42O12 (630.2676132)


   

(ent-4beta,6beta,7alpha,8alpha,11E)-4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide|scutalpin K

(ent-4beta,6beta,7alpha,8alpha,11E)-4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide|scutalpin K

C36H38O10 (630.2464848)


   
   

13-Decinnamoyl-9-deacetyltaxchinin B

13-Decinnamoyl-9-deacetyltaxchinin B

C33H42O12 (630.2676132)


   

2-hydroxyacetic acid rel-(1aR,4R,5R,5aS,7R,9R,9aR,10S,11R,11aS)-9,10-bis(acetyloxy)-5-(benzoyloxy)dodecahydro-4,7-dihydroxy-1a,9a,12,12-tetramethyl-6-methylene-2-oxo-3H-4,11a-methanobenzo[5,6]cyclodec[1,2-b]oxiren-11-yl ester|rel-(2alpha,5alpha,7beta,9alpha,10beta,12alpha)-7,9-bis(acetyloxy)-2-(benzoyloxy)-11,12-epoxy-1,5-dihydroxy-10-[(hydroxyacetyl)oxy]tax-4(20)-en-13-one

2-hydroxyacetic acid rel-(1aR,4R,5R,5aS,7R,9R,9aR,10S,11R,11aS)-9,10-bis(acetyloxy)-5-(benzoyloxy)dodecahydro-4,7-dihydroxy-1a,9a,12,12-tetramethyl-6-methylene-2-oxo-3H-4,11a-methanobenzo[5,6]cyclodec[1,2-b]oxiren-11-yl ester|rel-(2alpha,5alpha,7beta,9alpha,10beta,12alpha)-7,9-bis(acetyloxy)-2-(benzoyloxy)-11,12-epoxy-1,5-dihydroxy-10-[(hydroxyacetyl)oxy]tax-4(20)-en-13-one

C33H42O12 (630.2676132)


   

[3,3]bi(2-hydroxy-4,5,6-trimethoxydihydrochalcone)

[3,3]bi(2-hydroxy-4,5,6-trimethoxydihydrochalcone)

C36H38O10 (630.2464848)


   
   
   
   
   
   
   
   

2,6-di(O-beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|2,6-di-O-(beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|nonioside B

2,6-di(O-beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|2,6-di-O-(beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|nonioside B

C26H46O17 (630.2734866000001)


   

Me glycoside,2,3,4-tri-Ac-,3,4-dibenzyl-2-O-alpha-L-Rhamnopyranosyl-L-rhamnose

Me glycoside,2,3,4-tri-Ac-,3,4-dibenzyl-2-O-alpha-L-Rhamnopyranosyl-L-rhamnose

C33H42O12 (630.2676132)


   

19-hydroxyingol 3,12-diacetate 7,8-ditiglate

19-hydroxyingol 3,12-diacetate 7,8-ditiglate

C34H46O11 (630.3039966)


   
   
   

Cys His Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

Cys Trp His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

Cys Trp Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

His Cys Trp Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

His Trp Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

His Trp Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C31H34N8O5S (630.2372754)


   

Trp Cys His Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

Trp Cys Trp His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

Trp His Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

Trp His Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C31H34N8O5S (630.2372754)


   

Trp Trp Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H34N8O5S (630.2372754)


   

Trp Trp His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C31H34N8O5S (630.2372754)


   

DVNHF

Asp Val Asn His Phe

C28H38N8O9 (630.2761618)


   

Brassica napus non-fluorescent chlorophyll catabolite 3

6-[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-5-carboxylic acid

C34H38N4O8 (630.2689508)


   
   

2-[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid

2-[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid

C30H38N4O11 (630.2536958)


   

5,5,6,6,7,7,8,8-Octahydro-1,1-binaphthalene-2,2-diylbis(dip henylphosphine)

5,5,6,6,7,7,8,8-Octahydro-1,1-binaphthalene-2,2-diylbis(dip henylphosphine)

C44H40P2 (630.2605100000001)


   

3-Ethyl-2-[3-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1-propen-1-yl]-1,1-dimethyl-1H-benz[e]indolium hexafluorophosphate(1-) (1:1)

3-Ethyl-2-[3-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1-propen-1-yl]-1,1-dimethyl-1H-benz[e]indolium hexafluorophosphate(1-) (1:1)

C35H37F6N2P (630.2598404)


   

12-Ethyl-71-hydroxy-8-propylbacteriochlorophyllide c

12-Ethyl-71-hydroxy-8-propylbacteriochlorophyllide c

C36H38MgN4O5-2 (630.2692558)


   

3-Deacetyl-3-(1-hydroxyethyl)-bacteriochlorophyllide g

3-Deacetyl-3-(1-hydroxyethyl)-bacteriochlorophyllide g

C35H34MgN4O6-2 (630.2328724000001)


   

magnesium;3-[(21S,22S)-11-ethyl-16-(1-hydroxyethyl)-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate

magnesium;3-[(21S,22S)-11-ethyl-16-(1-hydroxyethyl)-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate

C35H34MgN4O6-2 (630.2328724000001)


   

magnesium;3-[(11R,12R,21S,22S)-16-acetyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),13,15,17,19-decaen-22-yl]propanoate

magnesium;3-[(11R,12R,21S,22S)-16-acetyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),13,15,17,19-decaen-22-yl]propanoate

C35H34MgN4O6-2 (630.2328724000001)


   

3-[18-(2-Carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid

3-[18-(2-Carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid

C34H38N4O4S2 (630.2334348)


   

Trigonosin D

Trigonosin D

C33H42O12 (630.2676132)


A natural product found in Trigonostemon thyrsoideum.

   

Levesquamide

Levesquamide

C28H34N6O9S (630.2107874000001)


A polyketide-nonribosomal peptide with an isothiazolinone moiety found in Streptomyces sp. RKND-216. It has a strong selective activity against M. tuberculosis, with no cytotoxicity against mammalian cell lines.

   

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

C34H38N4O6S (630.2511928)


   

1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

C34H38N4O6S (630.2511928)


   

deoxynivalenol 15-penicillin G

deoxynivalenol 15-penicillin G

C31H38N2O10S (630.2247048)


   

3-(1-hydroxyethyl)chlorophyllide a(2-)

3-(1-hydroxyethyl)chlorophyllide a(2-)

C35H34MgN4O6 (630.2328724000001)


A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)chlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

bacteriochlorophyllide a(2-)

bacteriochlorophyllide a(2-)

C35H34MgN4O6 (630.2328724000001)


A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

3-acetylchlorophyllide a

3-acetylchlorophyllide a

C35H34MgN4O6 (630.2328724000001)


A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-acetylchlorophyll a.

   
   
   
   
   
   
   
   
   
   

Z-YVAD-FMK

Z-YVAD-FMK

C31H39FN4O9 (630.2700936)


Z-YVAD-FMK is a?cell-permeable?caspase-1 and -4 inhibitor with?anti-inflammatory and anti-tumor activities[1].