Exact Mass: 596.2999

Exact Mass Matches: 596.2999

Found 102 metabolites which its exact mass value is equals to given mass value 596.2999, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Salannin

2H,3H-Cyclopenta(d)naphtho(1,8-bc:2,3-b)difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-((2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2aalpha,3beta,5beta(E), 5aalpha,6alpha,6aalpha,8beta,9abeta,10aalpha,10balpha,10cbeta)-(+)-

C34H44O9 (596.2985)


Salannin is a limonoid with insecticidal activity isolated from Azadirachta indica. It has a role as an insect growth regulator, an antifeedant and a plant metabolite. It is an acetate ester, a member of furans, a limonoid, an organic heteropentacyclic compound and a methyl ester. It is functionally related to a tiglic acid. Salannin is a natural product found in Azadirachta indica, Melia azedarach, and other organisms with data available. A limonoid with insecticidal activity isolated from Azadirachta indica.

   

LysoPI(18:2(9Z,12Z)/0:0)

[(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

C27H49O12P (596.2961)


LysoPI(18:2(9Z,12Z)/0:0) is a lysophosphatidylinositol. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic. However, it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Lysophosphatidylinositols can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. LysoPI(18:2(9Z,12Z)/0:0), in particular, consists of one chain of linoleic acid at the C-1 position.

   

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoic acid

C27H49O12P (596.2961)


   

Salannin

14-(Acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 2-methylbut-2-enoic acid

C34H44O9 (596.2985)


   

Neobonaspectin B

Neobonaspectin B

C34H44O9 (596.2985)


   

Dictamnoside M

Dictamnoside M

C27H48O14 (596.3044)


   

japonicone D

japonicone D

C34H44O9 (596.2985)


   

turrapubin G

turrapubin G

C34H44O9 (596.2985)


   

16-O-deca-2,4,6-trienoyl-13,20-diacetyl-12-deoxyphorbol

16-O-deca-2,4,6-trienoyl-13,20-diacetyl-12-deoxyphorbol

C34H44O9 (596.2985)


   

Inulanolide A

Inulanolide A

C34H44O9 (596.2985)


   

Phe Phe Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C29H40N8O6 (596.3071)


   

Phe Phe Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C29H40N8O6 (596.3071)


   

Phe Gln Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C29H40N8O6 (596.3071)


   

Phe Gln Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C29H40N8O6 (596.3071)


   

Phe Arg Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C29H40N8O6 (596.3071)


   

Phe Arg Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C29H40N8O6 (596.3071)


   

Lys Thr Trp Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

Lys Thr Tyr Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H40N6O7 (596.2958)


   

Lys Trp Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

Lys Trp Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C30H40N6O7 (596.2958)


   

Lys Tyr Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C30H40N6O7 (596.2958)


   

Lys Tyr Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C30H40N6O7 (596.2958)


   

Gln Phe Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C29H40N8O6 (596.3071)


   

Gln Phe Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C29H40N8O6 (596.3071)


   

Gln Arg Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C29H40N8O6 (596.3071)


   

Arg Phe Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C29H40N8O6 (596.3071)


   

Arg Phe Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C29H40N8O6 (596.3071)


   

Arg Gln Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C29H40N8O6 (596.3071)


   

Thr Lys Trp Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

Thr Lys Tyr Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H40N6O7 (596.2958)


   

Thr Trp Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

Thr Trp Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C30H40N6O7 (596.2958)


   

Thr Tyr Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C30H40N6O7 (596.2958)


   

Thr Tyr Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C30H40N6O7 (596.2958)


   

Trp Lys Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

Trp Lys Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C30H40N6O7 (596.2958)


   

Trp Thr Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

Trp Thr Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C30H40N6O7 (596.2958)


   

Trp Tyr Lys Thr

(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-hydroxybutanoic acid

C30H40N6O7 (596.2958)


   

Trp Tyr Thr Lys

(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]hexanoic acid

C30H40N6O7 (596.2958)


   

Tyr Lys Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C30H40N6O7 (596.2958)


   

Tyr Lys Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C30H40N6O7 (596.2958)


   

Tyr Thr Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C30H40N6O7 (596.2958)


   

Tyr Thr Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C30H40N6O7 (596.2958)


   

Tyr Trp Lys Thr

(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxybutanoic acid

C30H40N6O7 (596.2958)


   

Tyr Trp Thr Lys

(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]hexanoic acid

C30H40N6O7 (596.2958)


   

(5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)methyl ester

(5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)methyl ester

C33H44N2O8 (596.3098)


   

LysoPI(18:2/0:0)

1-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1-myo-inositol)

C27H49O12P (596.2961)


   

LPI 18:2

1-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1-myo-inositol)

C27H49O12P (596.2961)


   

3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-17,19,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-17,19,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C35H40N4O5 (596.2999)


   

[14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

[14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

Lys-Thr-Trp-Tyr

Lys-Thr-Trp-Tyr

C30H40N6O7 (596.2958)


A tetrapeptide composed of L-lysine, L-threonine, L-tryptophan and L-tyrosine joined in sequence by peptide linkages.

   
   

(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C32H44N4O5S (596.3032)


   

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

C27H49O12P (596.2961)


   

[(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-Acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

[(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-Acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate

C27H49O12P (596.2961)


   
   
   
   
   
   
   
   
   
   
   

PI P-14:0/4:1 or PI O-14:1/4:1

PI P-14:0/4:1 or PI O-14:1/4:1

C27H49O12P (596.2961)


   
   

PI P-16:1/2:0 or PI O-16:2/2:0

PI P-16:1/2:0 or PI O-16:2/2:0

C27H49O12P (596.2961)


   
   

PI P-18:1 or PI O-18:2

PI P-18:1 or PI O-18:2

C27H49O12P (596.2961)


   

ST 28:7;O3;GlcA

ST 28:7;O3;GlcA

C34H44O9 (596.2985)


   

2-{[1-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)propan-2-yl]oxy}-1,3-dimethoxy-5-[(1e)-prop-1-en-1-yl]benzene

2-{[1-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)propan-2-yl]oxy}-1,3-dimethoxy-5-[(1e)-prop-1-en-1-yl]benzene

C34H44O9 (596.2985)


   

(4r)-4-[(1'r,2'r,3r,3ar,4r,4'r,7as,8's,12's,15's)-15'-(acetyloxy)-4-hydroxy-2',6,11'-trimethyl-7'-methylidene-2,6'-dioxo-3a,4,7,7a-tetrahydro-5'-oxaspiro[1-benzofuran-3,13'-tetracyclo[10.2.1.0¹,¹⁰.0⁴,⁸]pentadecan]-10'-en-5-yl]pentyl acetate

(4r)-4-[(1'r,2'r,3r,3ar,4r,4'r,7as,8's,12's,15's)-15'-(acetyloxy)-4-hydroxy-2',6,11'-trimethyl-7'-methylidene-2,6'-dioxo-3a,4,7,7a-tetrahydro-5'-oxaspiro[1-benzofuran-3,13'-tetracyclo[10.2.1.0¹,¹⁰.0⁴,⁸]pentadecan]-10'-en-5-yl]pentyl acetate

C34H44O9 (596.2985)


   

4-[15'-(acetyloxy)-4-hydroxy-2',6,11'-trimethyl-7'-methylidene-2,6'-dioxo-3a,4,7,7a-tetrahydro-5'-oxaspiro[1-benzofuran-3,13'-tetracyclo[10.2.1.0¹,¹⁰.0⁴,⁸]pentadecan]-10'-en-5-yl]pentyl acetate

4-[15'-(acetyloxy)-4-hydroxy-2',6,11'-trimethyl-7'-methylidene-2,6'-dioxo-3a,4,7,7a-tetrahydro-5'-oxaspiro[1-benzofuran-3,13'-tetracyclo[10.2.1.0¹,¹⁰.0⁴,⁸]pentadecan]-10'-en-5-yl]pentyl acetate

C34H44O9 (596.2985)


   

2-{[5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

2-{[5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C27H48O14 (596.3044)


   

(2s)-n-[(3s)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2r)-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboximidic acid

(2s)-n-[(3s)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2r)-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboximidic acid

C30H40N6O7 (596.2958)


   

2alpha-benzoyloxy-9alpha,10beta,13alpha-triacetoxy-1beta,5alpha-dihydroxy-4(20),11-taxadiene

2α-benzoyloxy-9α,10β,13α-triacetoxy-1β,5α-dihydroxy-4(20),11-taxadiene

C34H44O9 (596.2985)


{"Ingredient_id": "HBIN005278","Ingredient_name": "2alpha-benzoyloxy-9alpha,10beta,13alpha-triacetoxy-1beta,5alpha-dihydroxy-4(20),11-taxadiene","Alias": "2\u03b1-benzoyloxy-9\u03b1,10\u03b2,13\u03b1-triacetoxy-1\u03b2,5\u03b1-dihydroxy-4(20),11-taxadiene","Ingredient_formula": "C34H44O9","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1OC(=C)C)O)OC(=O)C4=CC=CC=C4)O)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25194;2265","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid

n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid

C33H44N2O8 (596.3098)


   

(1r,2s,4r,6r,9r,10r,11r,12s,14s,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2s,4r,6r,9r,10r,11r,12s,14s,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

(2s)-n-[(3r)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2r)-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboximidic acid

(2s)-n-[(3r)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2r)-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboximidic acid

C30H40N6O7 (596.2958)


   

(1r,2s,4r,6r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2z)-2-methylbut-2-enoate

(1r,2s,4r,6r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2z)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

(2s)-2-{[(2s)-2-{[(2s,3r)-2-{[(2s)-2,6-diamino-1-hydroxyhexylidene]amino}-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

(2s)-2-{[(2s)-2-{[(2s,3r)-2-{[(2s)-2,6-diamino-1-hydroxyhexylidene]amino}-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C30H40N6O7 (596.2958)


   

n-(5-carbamimidamido-1-oxopentan-2-yl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboximidic acid

n-(5-carbamimidamido-1-oxopentan-2-yl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboximidic acid

C30H40N6O7 (596.2958)


   

(2r,3r,4s,5s,6r)-2-{[(1r,2r,4as,5s,8r)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(1r,2r,4as,5s,8r)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C27H48O14 (596.3044)


   

n-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-(2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboximidic acid

n-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-(2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboximidic acid

C30H40N6O7 (596.2958)


   

(1r,2s,4r,6r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 2-methylbut-2-enoate

(1r,2s,4r,6r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 2-methylbut-2-enoate

C34H44O9 (596.2985)


   

(1r,2s,6r,9r,10r,11r,12s,14r,15r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2s,6r,9r,10r,11r,12s,14r,15r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

(1r,2s,4s,6r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2s,4s,6r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

(1r,2s,4r,5r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-5-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2s,4r,5r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-5-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

2-{[(2s)-1-(3,5-dimethoxy-4-{[(2s)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)propan-2-yl]oxy}-1,3-dimethoxy-5-[(1e)-prop-1-en-1-yl]benzene

2-{[(2s)-1-(3,5-dimethoxy-4-{[(2s)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)propan-2-yl]oxy}-1,3-dimethoxy-5-[(1e)-prop-1-en-1-yl]benzene

C34H44O9 (596.2985)


   

(2r,3r,4s,5s,6r)-2-{[(1r,2r,4as,5s,8r,8ar)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(1r,2r,4as,5s,8r,8ar)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C27H48O14 (596.3044)


   

n-[(2r)-1-{[(5r,6e,8e,10e,13s,14s,15r,16e)-3,15-dihydroxy-5-methoxy-14,16-dimethyl-22,24-dioxo-2-azabicyclo[18.3.1]tetracosa-1(23),2,6,8,10,16,20-heptaen-13-yl]oxy}-1-oxopropan-2-yl]-2-methylpropanimidic acid

n-[(2r)-1-{[(5r,6e,8e,10e,13s,14s,15r,16e)-3,15-dihydroxy-5-methoxy-14,16-dimethyl-22,24-dioxo-2-azabicyclo[18.3.1]tetracosa-1(23),2,6,8,10,16,20-heptaen-13-yl]oxy}-1-oxopropan-2-yl]-2-methylpropanimidic acid

C33H44N2O8 (596.3098)


   

(2r,3r,4s,5r,6r)-2-{[(1r,2r,4as,5s,8r,8ar)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4s,5r,6r)-2-{[(1r,2r,4as,5s,8r,8ar)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C27H48O14 (596.3044)


   

(1r,2r,3r,5s,8r,9r,10r)-9,10-bis(acetyloxy)-5-[(benzyloxy)methoxy]-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-2-yl acetate

(1r,2r,3r,5s,8r,9r,10r)-9,10-bis(acetyloxy)-5-[(benzyloxy)methoxy]-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-2-yl acetate

C34H44O9 (596.2985)


   

(1ar,3s,3ar,4r,5r,6r,7as)-5-(acetyloxy)-3-(furan-3-yl)-6-[(1s,6r)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl 2-methylbutanoate

(1ar,3s,3ar,4r,5r,6r,7as)-5-(acetyloxy)-3-(furan-3-yl)-6-[(1s,6r)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl 2-methylbutanoate

C34H44O9 (596.2985)


   

(2s)-n-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboximidic acid

(2s)-n-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboximidic acid

C30H40N6O7 (596.2958)


   

(1r,2s,4r,6r,9r,10s,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2s,4r,6r,9r,10s,11r,12s,14r,15r,18r)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-2-methylbut-2-enoate

C34H44O9 (596.2985)


   

14-(acetyloxy)-5-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 2-methylbut-2-enoate

14-(acetyloxy)-5-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 2-methylbut-2-enoate

C34H44O9 (596.2985)


   

2-{[1-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)propan-2-yl]oxy}-1,3-dimethoxy-5-(prop-1-en-1-yl)benzene

2-{[1-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)propan-2-yl]oxy}-1,3-dimethoxy-5-(prop-1-en-1-yl)benzene

C34H44O9 (596.2985)