Exact Mass: 654.2645

Exact Mass Matches: 654.2645

Found 85 metabolites which its exact mass value is equals to given mass value 654.2645, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Coproporphyrin I

3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


Coproporphyrin I is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. Coproporphyrin I is a tetrapyrrole dead-end product from the spontaneous oxidation of the methylene bridges of coproporphynogen, arising from heme synthesis and secreted in feces and urine. Increased levels of coproporphyrins can indicate congenital erythropoietic porphyria or sideroblastic anaemia. Porphyria is a pathological state characterised by abnormalities of porphyrin metabolism and results in the excretion of large quantities of porphyrins in the urine and in extreme sensitivity to light. A large number of factors are capable of increasing porphyrin excretion, owing to different and multiple causes and etiologies: 1) the main site of the chronic hepatic porphyria disease process concentrates on the liver, 2) a functional and morphologic liver injury is almost regularly associated with this chronic porphyria, 3) the toxic form due to occupational and environmental exposure takes mainly a subclinical course. Hepatic factors includes disturbance in coproporphyrinogen metabolism, which results from inhibition of coproporphyrinogen oxidase as well as from the rapid loss from, and diminished utilization of coproporphyrinogen in the hepatocytes, which may also explain why coproporphyrin, its autoxidation product, predominates physiologically in the urine; decreased biliary excretion of coproporphyrin leading to a compensatory urinary excretion, so that the coproporphyrin ring isomer ratio (1:III) becomes a sensitive index for impaired liver function and intrahepatic cholestasis; and disturbed activity of hepatic uroporphyrinogen decarboxylase. In itself, secondary coproporphyrinuria is not associated with porphyria symptoms of a hepatologic-gastroenterologic, neurologic, or dermatologic order, even though coproporphyrinuria can occur with such symptoms. (PMID: 3327428). Coproporhyrin I is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life.

   

Coproporphyrin III

3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


Coproporphyrin III is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. Coproporphyrin III is a tetrapyrrole dead-end product from the spontaneous oxidation of the methylene bridges of coproporphynogen, arising from heme synthesis and secreted in feces and urine. Increased levels of coproporphyrins can indicate congenital erythropoietic porphyria or sideroblastic anaemia, which are inherited disorders. Porphyria is a pathological state characterised by abnormalities of porphyrin metabolism and results in the excretion of large quantities of porphyrins in the urine and in extreme sensitivity to light. A large number of factors are capable of increasing porphyrin excretion, owing to different and multiple causes and etiologies: 1) the main site of the chronic hepatic porphyria disease process concentrates on the liver, 2) a functional and morphologic liver injury is almost regularly associated with this chronic porphyria, 3) the toxic form due to occupational and environmental exposure takes mainly a subclinical course. Hepatic factors includes disturbance in coproporphyrinogen metabolism, which results from inhibition of coproporphyrinogen oxidase as well as from the rapid loss from, and diminished utilization of coproporphyrinogen in the hepatocytes, which may also explain why coproporphyrin, its autoxidation product, predominates physiologically in the urine; decreased biliary excretion of coproporphyrin leading to a compensatory urinary excretion, so that the coproporphyrin ring isomer ratio (1:III) becomes a sensitive index for impaired liver function and intrahepatic cholestasis; and disturbed activity of hepatic uroporphyrinogen decarboxylase. In itself, secondary coproporphyrinuria is not associated with porphyria symptoms of a hepatologic-gastroenterologic, neurologic, or dermatologic order, even though coproporphyrinuria can occur with such symptoms. (PMID: 3327428). Excreted in small amounts in urine and faeces, found in blood, yeast, microorganisms etc. By-product of Haem formation in vivo, due to oxidation of the porphyrinogen (CCD) Coproporphyrin III (Zincphyrin) is a naturally occurring porphyrin derivative that is mainly found in urine[1][2].

   

cryptophycin

Cryptophycin 1

C35H43ClN2O8 (654.2708)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent

   

Coproporphyrin II

3-[10,14,20-tris(2-carboxyethyl)-5,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


Coproporphyrin II is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. This is a rare coproporphyrin isomer and it constitues only 1\\% of all coproporphyrins. This isomer appears to arise spontaneously as opposed to enzymatically. Coproporphyrin II is a tetrapyrrole dead-end product from the spontaneous oxidation of the methylene bridges of coproporphynogen, arising from heme synthesis and secreted in feces and urine. Increased levels of coproporphyrins can indicate congenital erythropoietic porphyria or sideroblastic anaemia. Porphyria is a pathological state characterised by abnormalities of porphyrin metabolism and results in the excretion of large quantities of porphyrins in the urine and in extreme sensitivity to light. A large number of factors are capable of increasing porphyrin excretion, owing to different and multiple causes and etiologies: 1) the main site of the chronic hepatic porphyria disease process concentrates on the liver, 2) a functional and morphologic liver injury is almost regularly associated with this chronic porphyria, 3) the toxic form due to occupational and environmental exposure takes mainly a subclinical course. Hepatic factors includes disturbance in coproporphyrinogen metabolism, which results from inhibition of coproporphyrinogen oxidase as well as from the rapid loss from, and diminished utilization of coproporphyrinogen in the hepatocytes, which may also explain why coproporphyrin, its autoxidation product, predominates physiologically in the urine; decreased biliary excretion of coproporphyrin leading to a compensatory urinary excretion, so that the coproporphyrin ring isomer ratio (1:III) becomes a sensitive index for impaired liver function and intrahepatic cholestasis; and disturbed activity of hepatic uroporphyrinogen decarboxylase. In itself, secondary coproporphyrinuria is not associated with porphyria symptoms of a hepatologic-gastroenterologic, neurologic, or dermatologic order, even though coproporphyrinuria can occur with such symptoms. (PMID: 3327428). Coproporhyrin II is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. This is a rare coproporphyrin isomer and it constitues only 1\\% of all coproporphyrins. This isomer appears to arise spontaneously as opposed to enzymatically.

   

Coproporphyrin IV

3-[10,15,19-tris(2-carboxyethyl)-5,9,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


Coproporphyrin IV is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. This is a rare coproporphyrin isomer and it constitues only 2\\% of all coproporphyrins. This isomer appears to arise spontaneously as opposed to enzymatically. Coproporphyrin IV is a tetrapyrrole dead-end product from the spontaneous oxidation of the methylene bridges of coproporphynogen, arising from heme synthesis and secreted in feces and urine. Increased levels of coproporphyrins can indicate congenital erythropoietic porphyria or sideroblastic anaemia. Porphyria is a pathological state characterised by abnormalities of porphyrin metabolism and results in the excretion of large quantities of porphyrins in the urine and in extreme sensitivity to light. A large number of factors are capable of increasing porphyrin excretion, owing to different and multiple causes and etiologies: 1) the main site of the chronic hepatic porphyria disease process concentrates on the liver, 2) a functional and morphologic liver injury is almost regularly associated with this chronic porphyria, 3) the toxic form due to occupational and environmental exposure takes mainly a subclinical course. Hepatic factors includes disturbance in coproporphyrinogen metabolism, which results from inhibition of coproporphyrinogen oxidase as well as from the rapid loss from, and diminished utilization of coproporphyrinogen in the hepatocytes, which may also explain why coproporphyrin, its autoxidation product, predominates physiologically in the urine; decreased biliary excretion of coproporphyrin leading to a compensatory urinary excretion, so that the coproporphyrin ring isomer ratio (1:III) becomes a sensitive index for impaired liver function and intrahepatic cholestasis; and disturbed activity of hepatic uroporphyrinogen decarboxylase. In itself, secondary coproporphyrinuria is not associated with porphyria symptoms of a hepatologic-gastroenterologic, neurologic, or dermatologic order, even though coproporphyrinuria can occur with such symptoms. (PMID: 3327428). Coproporhyrin IV is a porphyrin metabolite arising from heme synthesis. Porphyrins are pigments found in both animal and plant life. This is a rare coproporphyrin isomer and it constitues only 2\\% of all coproporphyrins. This isomer appears to arise spontaneously as opposed to enzymatically.

   

Isocoproporphyrin

3-[15,19-bis(2-carboxyethyl)-20-(carboxymethyl)-9-ethyl-5,10,14-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


Isocoproporphyrin is a porphyrin derivative found in the feces and in urine for patients suffering from PCT (porphyria cutanea tarda). PCT is probably the most common of the porphyrias. It manifests as vesicle formation in sun-exposed areas, particularly the dorsum of the hands, A finding that is virtually diagnostic of PCT is the presence of isocoproporphyrin in stool. A porphyrin derivative found in the feces and in urine for patients suffering from PCT (porphyria cutanea tarda). PCT is probably the most common of the porphyrias. It manifests as vesicle formation in sun-exposed areas, particularly the dorsum of the hands, A finding that is virtually diagnostic of PCT is the presence of isocoproporphyrin in stool [HMDB]

   

cryptophycin

10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

C35H43ClN2O8 (654.2708)


   

Swietephragmin F

Swietephragmin F

C35H42O12 (654.2676)


   
   

Thiomarinol D

Thiomarinol D

C31H46N2O9S2 (654.2645)


An organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

13,15-epoxy-13-epi-taxayunnasin A

13,15-epoxy-13-epi-taxayunnasin A

C35H42O12 (654.2676)


   

3??,5??,8??,15??-Tetraacetoxy-7??-benzoyloxyjatropha-6(17),11E-dien-9,14-dione

3??,5??,8??,15??-Tetraacetoxy-7??-benzoyloxyjatropha-6(17),11E-dien-9,14-dione

C35H42O12 (654.2676)


   

4,5-dioxo-4,5-secopheophorbide b methyl ester

4,5-dioxo-4,5-secopheophorbide b methyl ester

C36H38N4O8 (654.269)


   

3,5,15,17-O-tetraacetyl-7-O-benzoylcheiradone

3,5,15,17-O-tetraacetyl-7-O-benzoylcheiradone

C35H42O12 (654.2676)


   

Trisdesaspidin

Trisdesaspidin

C35H42O12 (654.2676)


   

13-deacetoxy-13,15-epoxy-11(15-->1)abeo-13-epi-baccatin VI|13-Deacetoxy-13,15-epoxy-11(15鈥樏傗垎1)-abeo-13-epi-baccatin VI

13-deacetoxy-13,15-epoxy-11(15-->1)abeo-13-epi-baccatin VI|13-Deacetoxy-13,15-epoxy-11(15鈥樏傗垎1)-abeo-13-epi-baccatin VI

C35H42O12 (654.2676)


   
   
   

15-O-acetylcheiradone|rel-(2aR,5S,5aS,6S,6aS,7R,8R,9aS,10aR,10bS)-5,7,9a-tris(acetyloxy)-5a-[(acetyloxy)methyl]-6-benzoyloxy-2,2a,5,5a,6,6a,7,8,9,9a,10a,10b-dodecahydro-2,2,8,10a-tetramethyl-10H-azuleno[5,6,7-cd]isobenzofuran-10-one

15-O-acetylcheiradone|rel-(2aR,5S,5aS,6S,6aS,7R,8R,9aS,10aR,10bS)-5,7,9a-tris(acetyloxy)-5a-[(acetyloxy)methyl]-6-benzoyloxy-2,2a,5,5a,6,6a,7,8,9,9a,10a,10b-dodecahydro-2,2,8,10a-tetramethyl-10H-azuleno[5,6,7-cd]isobenzofuran-10-one

C35H42O12 (654.2676)


   

(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,10a-triacetoxy-4a-(acetoxymethyl)-9-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|3,7,15,17-O-tetraacetyl-5-O-benzoyl-13-hydroxymyrsinol|isodecipinone

(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,10a-triacetoxy-4a-(acetoxymethyl)-9-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|3,7,15,17-O-tetraacetyl-5-O-benzoyl-13-hydroxymyrsinol|isodecipinone

C35H42O12 (654.2676)


   

(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,9-triacetoxy-4a-(acetoxymethyl)-10a-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|decipinone

(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,9-triacetoxy-4a-(acetoxymethyl)-10a-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|decipinone

C35H42O12 (654.2676)


   

Trisflavaspidic acid

Trisflavaspidic acid

C35H42O12 (654.2676)


   

Trisdesaspidin BBB

Trisdesaspidin BBB

C35H42O12 (654.2676)


   

Filixic acid pbb

Filixic acid pbb

C35H42O12 (654.2676)


   

Coproporphyrin III

Coproporphyrin III

C36H38N4O8 (654.269)


Coproporphyrin III (Zincphyrin) is a naturally occurring porphyrin derivative that is mainly found in urine[1][2].

   

Coproporphyrin I

Coproporphyrin I

C36H38N4O8 (654.269)


   

Epicatechocorynantheidine

Epicatechocorynantheidine

C37H38N2O9 (654.2577)


   

Phe Tyr Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C36H38N4O8 (654.269)


   

Tyr Phe Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C36H38N4O8 (654.269)


   

Tyr Tyr Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C36H38N4O8 (654.269)


   

Tyr Tyr Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C36H38N4O8 (654.269)


   

Coproporphyrin II

Coproporphyrin II

C36H38N4O8 (654.269)


   

Coproporphyrin IV

Coproporphyrin IV

C36H38N4O8 (654.269)


   

Isocoproporphyrin

Isocoproporphyrin

C36H38N4O8 (654.269)


   

(3S)-6,6-DIMETHYL-5-OXOTHIOMORPHOLINE-3-CARBOXYLICACID

(3S)-6,6-DIMETHYL-5-OXOTHIOMORPHOLINE-3-CARBOXYLICACID

C39H42O7S (654.2651)


   
   

disodium oxybis[decylbenzenesulphonate]

disodium oxybis[decylbenzenesulphonate]

C32H48Na2O7S2 (654.2637)


   

2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole,4-methylbenzenesulfonate

2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole,4-methylbenzenesulfonate

C39H43ClN2O3S (654.2683)


   

1-[(3R)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride

1-[(3R)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride

C37H45Cl3N2O2 (654.2546)


   

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

C35H43ClN2O8 (654.2708)


D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents

   

3-[8,13,18-Tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid

3-[8,13,18-Tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid

C36H38N4O8 (654.269)


   

3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21h,23h-porphine-2,7,18-tripropanoic acid

3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21h,23h-porphine-2,7,18-tripropanoic acid

C36H38N4O8 (654.269)


   

3,8,12,17-Tetramethyl-2,7,13,18-porphinetetrapropionate

3,8,12,17-Tetramethyl-2,7,13,18-porphinetetrapropionate

C36H38N4O8 (654.269)


   

3-[8,12,18-Tris(2-carboxyethyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid

3-[8,12,18-Tris(2-carboxyethyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid

C36H38N4O8 (654.269)


   

Esulatin I, (rel)-

Esulatin I, (rel)-

C35H42O12 (654.2676)


A natural product found in Euphorbia esula.

   
   
   

3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


   

8-{[(2e,4r)-4-[(2s,3r,4r,5s)-3,4-dihydroxy-5-[(2e,4r,5s)-5-hydroxy-4-methylhept-2-en-1-yl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoyl]oxy}-n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}octanimidic acid

8-{[(2e,4r)-4-[(2s,3r,4r,5s)-3,4-dihydroxy-5-[(2e,4r,5s)-5-hydroxy-4-methylhept-2-en-1-yl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoyl]oxy}-n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}octanimidic acid

C31H46N2O9S2 (654.2645)


   

(3s,6r,10s,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(3s,6r,10s,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

13-deacetoxy-13,15-epoxy-11(15-1)-abeo-13-epi-baccatinvi

NA

C35H42O12 (654.2676)


{"Ingredient_id": "HBIN001159","Ingredient_name": "13-deacetoxy-13,15-epoxy-11(15-1)-abeo-13-epi-baccatinvi","Alias": "NA","Ingredient_formula": "C35H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C25CC1OC5(C)C)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26040","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

13-deacetoxy-13,15-epoxy-11(15→1)-abeo-13-epi-baccatin vi

NA

C35H42O12 (654.2676)


{"Ingredient_id": "HBIN001160","Ingredient_name": "13-deacetoxy-13,15-epoxy-11(15\u21921)-abeo-13-epi-baccatin vi","Alias": "NA","Ingredient_formula": "C35H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C25CC1OC5(C)C)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4705","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,4r,5r,10r,12s,14r,15s,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate

(1s,4r,5r,10r,12s,14r,15s,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate

C35H42O12 (654.2676)


   

2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate

2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate

C35H42O12 (654.2676)


   

(1r,2r,3r,4s,5s,7r,9s,12s,15r,16r)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate

(1r,2r,3r,4s,5s,7r,9s,12s,15r,16r)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate

C35H42O12 (654.2676)


   

(3s,6r,10r,13z,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(3s,6r,10r,13z,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

(4r,5r,14r,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate

(4r,5r,14r,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate

C35H42O12 (654.2676)


   

3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate

3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate

C35H42O12 (654.2676)


   

(1r,2r,3r,4s,5s,7r,9s,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate

(1r,2r,3r,4s,5s,7r,9s,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate

C35H42O12 (654.2676)


   

(1s,2s,3s,4r,5r,7s,9r,12r,15s,16s)-4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate

(1s,2s,3s,4r,5r,7s,9r,12r,15s,16s)-4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate

C35H42O12 (654.2676)


   

3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

C35H42O12 (654.2676)


   

(2s,3s,3ar,4r,6s,7r,12r,13ar)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate

(2s,3s,3ar,4r,6s,7r,12r,13ar)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate

C35H42O12 (654.2676)


   

12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl 2-methylbut-2-enoate

12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl 2-methylbut-2-enoate

C35H42O12 (654.2676)


   

8-{[(2e)-4-{3,4-dihydroxy-5-[(2e)-5-hydroxy-4-methylhept-2-en-1-yl]oxan-2-yl}-4-hydroxy-3-methylbut-2-enoyl]oxy}-n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}octanimidic acid

8-{[(2e)-4-{3,4-dihydroxy-5-[(2e)-5-hydroxy-4-methylhept-2-en-1-yl]oxan-2-yl}-4-hydroxy-3-methylbut-2-enoyl]oxy}-n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}octanimidic acid

C31H46N2O9S2 (654.2645)


   

2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate

2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate

C35H42O12 (654.2676)


   

(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

C35H42O12 (654.2676)


   

(2s,3s,3ar,4r,6s,7r,12s,13ar)-3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate

(2s,3s,3ar,4r,6s,7r,12s,13ar)-3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate

C35H42O12 (654.2676)


   

(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

C35H42O12 (654.2676)


   

(2s,3ar,7r,12s)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate

(2s,3ar,7r,12s)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate

C35H42O12 (654.2676)


   

4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate

4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate

C35H42O12 (654.2676)


   

(3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2s,3s)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2s,3s)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate

3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate

C35H42O12 (654.2676)


   

(3s,6r,10r,13e,16s)-3-[(2s)-butan-2-yl]-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(3s,6r,10r,13e,16s)-3-[(2s)-butan-2-yl]-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

C35H42O12 (654.2676)


   

(13e)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-16-[1-(3-phenyloxiran-2-yl)ethyl]-3-(sec-butyl)-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(13e)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-16-[1-(3-phenyloxiran-2-yl)ethyl]-3-(sec-butyl)-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

C35H42O12 (654.2676)


   

(3s,6r,10s,13z,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1r)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(3s,6r,10s,13z,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1r)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

(1r,2r,3r,4s,5s,7r,9r,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate

(1r,2r,3r,4s,5s,7r,9r,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate

C35H42O12 (654.2676)


   

10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-16-[1-(3-phenyloxiran-2-yl)ethyl]-3-(sec-butyl)-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-16-[1-(3-phenyloxiran-2-yl)ethyl]-3-(sec-butyl)-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate

C35H42O12 (654.2676)


   

(1s,2s,3r,4s,7r,9s,10s,11r,12r,15r)-2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate

(1s,2s,3r,4s,7r,9s,10s,11r,12r,15r)-2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate

C35H42O12 (654.2676)


   

3-[10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

3-[10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

C36H38N4O8 (654.269)


   

(3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

(3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)


   

10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

C35H43ClN2O8 (654.2708)