Exact Mass: 618.2828682

Exact Mass Matches: 618.2828682

Found 310 metabolites which its exact mass value is equals to given mass value 618.2828682, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Bryotoxin A

[2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate

C32H42O12 (618.2676132)


A bufadienolide glycoside that is 3,5,11,14-tetrahydroxy-12,19-dioxobufa-20,22-dienolide attached to a 3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl residue at position 3 via a glycosidic linkage. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides

   
   

APC

7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin

C33H38N4O8 (618.2689508)


   

Simulanoquinoline

2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-yl}methyl)-7-methoxy-2,6-dimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one

C37H34N2O7 (618.2365894)


Simulanoquinoline is found in fruits. Simulanoquinoline is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper).

   

PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

[2-hydroxy-3-(icosa-5,8,11,14,17-pentaenoyloxy)propoxy][(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinic acid

C29H47O12P (618.2804991999999)


   
   
   

Oxofangchirine

Oxofangchirine

C37H34N2O7 (618.2365894)


A bisbenzylisoquinoline alkaloid that is 1,2,3,4-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6, 7, and 12, and an oxo group at the 15 position. Isolated from Stephania tetrandra.

   
   
   
   
   
   

3-Vinylbacteriochlorophyllide a; 3-Deacetyl-3-vinylbacteriochlorophyllide a

3-Vinylbacteriochlorophyllide a; 3-Deacetyl-3-vinylbacteriochlorophyllide a

C35H38MgN4O5+2 (618.2692558)


   

12-Ethyl-8-isobutylbacteriochlorophyllide d

12-Ethyl-8-isobutylbacteriochlorophyllide d

C36H42MgN4O4+2 (618.3056392)


   
   
   
   
   
   
   
   

1-deoxy-3-methacrylyl-11-methoxymeliacarpinin

1-deoxy-3-methacrylyl-11-methoxymeliacarpinin

C32H42O12 (618.2676132)


   

6-O-nicotinoyl-7-O-acetylscutebarbatine G

6-O-nicotinoyl-7-O-acetylscutebarbatine G

C34H38N2O9 (618.2577178)


   

23-Ketone,3,28-disulfate-Cycloartane-3,23,28-triol

23-Ketone,3,28-disulfate-Cycloartane-3,23,28-triol

C30H50O9S2 (618.289609)


   

Petuniasterone B 22-O-<(methylthio)-carbonyl>acetate < (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one >|Petuniasterone B 22-O-[(methylthio)-carbonyl]acetate [ (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one ]

Petuniasterone B 22-O-<(methylthio)-carbonyl>acetate < (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one >|Petuniasterone B 22-O-[(methylthio)-carbonyl]acetate [ (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one ]

C34H50O8S (618.322622)


   
   

(2R,3R,4S,5R,7S,8R,13R,15R)-3,5,7,15-tetraacetoxy-8-isobutyroyloxy-9,14-dioxo-jatropha-6(17),11E-diene

(2R,3R,4S,5R,7S,8R,13R,15R)-3,5,7,15-tetraacetoxy-8-isobutyroyloxy-9,14-dioxo-jatropha-6(17),11E-diene

C33H46O11 (618.3039966)


   
   

1-O-cinnamoyl-17-defurano-17-(2-buten-4-olide-2-yl)salannic acid methyl ester|ohchininolide

1-O-cinnamoyl-17-defurano-17-(2-buten-4-olide-2-yl)salannic acid methyl ester|ohchininolide

C36H42O9 (618.2828682)


   

14beta-hydroxy-19beta-oxobufa-4,20,22-trienolide-16alpha-O-acetyl-3beta-O-beta-D-glucopyranoside|urginin B

14beta-hydroxy-19beta-oxobufa-4,20,22-trienolide-16alpha-O-acetyl-3beta-O-beta-D-glucopyranoside|urginin B

C32H42O12 (618.2676132)


   

stelleracin B

12-O-benzoylphorbol 13-(4Z,7Z)decadienoate

C37H46O8 (618.3192516)


   

1-O-decinnamoyl-1-O-benzoylohchinin acetate

1-O-decinnamoyl-1-O-benzoylohchinin acetate

C36H42O9 (618.2828682)


   
   

4-acetoxy-1beta-(2-methylbutyryloxy)-14-desacetoxy-3,14-dehydro-8,10-epoxyabrotanifolone

4-acetoxy-1beta-(2-methylbutyryloxy)-14-desacetoxy-3,14-dehydro-8,10-epoxyabrotanifolone

C33H46O11 (618.3039966)


   

(21alpha)-21-hydroxythyrsiferol|(alpha(2)S,2R,4S,5R)-;alpha;(2)-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha(5),alpha(5),2-trimethylfuran-2,5-dimethanol

(21alpha)-21-hydroxythyrsiferol|(alpha(2)S,2R,4S,5R)-;alpha;(2)-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha(5),alpha(5),2-trimethylfuran-2,5-dimethanol

C31H55BrO7 (618.313094)


   
   

1beta-isobutyryloxy-2beta,6alpha,15-triacetoxy-9alpha-benzoyloxy-4alpha-hydroxydihydro-beta-agarofuran

1beta-isobutyryloxy-2beta,6alpha,15-triacetoxy-9alpha-benzoyloxy-4alpha-hydroxydihydro-beta-agarofuran

C32H42O12 (618.2676132)


   

16beta-Acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolid|16beta-acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolide|scillicyanoside

16beta-Acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolid|16beta-acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolide|scillicyanoside

C32H42O12 (618.2676132)


   

guangomide A|spicellamide B

guangomide A|spicellamide B

C31H46N4O9 (618.3264626)


   
   
   
   
   
   
   
   
   
   

[9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

C33H46O11 (618.3039966)


   

Asp Ile Trp Trp

(3S)-3-amino-3-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Asp Leu Trp Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Asp Trp Ile Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Asp Trp Leu Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Asp Trp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C32H38N6O7 (618.2801838)


   

Asp Trp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C32H38N6O7 (618.2801838)


   

Glu Glu Arg Trp

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C27H38N8O9 (618.2761618)


   

Glu Glu Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H38N8O9 (618.2761618)


   

Glu Arg Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H38N8O9 (618.2761618)


   

Glu Arg Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H38N8O9 (618.2761618)


   

Glu Val Trp Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Glu Trp Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C27H38N8O9 (618.2761618)


   

Glu Trp Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C27H38N8O9 (618.2761618)


   

Glu Trp Val Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Glu Trp Trp Val

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

His His Tyr Tyr

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

C30H34N8O7 (618.2550334)


   

His Asn Trp Tyr

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

C30H34N8O7 (618.2550334)


   

His Asn Tyr Trp

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

C30H34N8O7 (618.2550334)


   

His Trp Asn Tyr

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

C30H34N8O7 (618.2550334)


   

His Trp Tyr Asn

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

C30H34N8O7 (618.2550334)


   

His Tyr His Tyr

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

C30H34N8O7 (618.2550334)


   

His Tyr Asn Trp

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

C30H34N8O7 (618.2550334)


   

His Tyr Trp Asn

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

C30H34N8O7 (618.2550334)


   

His Tyr Tyr His

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

C30H34N8O7 (618.2550334)


   

Ile Asp Trp Trp

(3S)-3-[(2S,3S)-2-amino-3-methylpentanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Ile Trp Asp Trp

(3S)-3-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Ile Trp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2801838)


   

Leu Asp Trp Trp

(3S)-3-[(2S)-2-amino-4-methylpentanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Leu Trp Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Leu Trp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2801838)


   

Met Pro Trp Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624258)


   

Met Trp Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624258)


   

Met Trp Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5S (618.2624258)


   

Asn His Trp Tyr

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

C30H34N8O7 (618.2550334)


   

Asn His Tyr Trp

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

C30H34N8O7 (618.2550334)


   

Asn Asn Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.2550334)


   

Asn Trp His Tyr

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

C30H34N8O7 (618.2550334)


   

Asn Trp Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.2550334)


   

Asn Trp Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.2550334)


   

Asn Trp Tyr His

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

C30H34N8O7 (618.2550334)


   

Asn Tyr His Trp

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

C30H34N8O7 (618.2550334)


   

Asn Tyr Trp His

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

C30H34N8O7 (618.2550334)


   

Pro Met Trp Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]propanoic acid

C32H38N6O5S (618.2624258)


   

Pro Trp Met Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C32H38N6O5S (618.2624258)


   

Pro Trp Trp Met

(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C32H38N6O5S (618.2624258)


   

Arg Glu Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H38N8O9 (618.2761618)


   

Arg Glu Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H38N8O9 (618.2761618)


   

Arg Trp Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

C27H38N8O9 (618.2761618)


   

Val Glu Trp Trp

(4S)-4-[(2S)-2-amino-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Val Trp Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Val Trp Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Asp Ile Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Trp Asp Leu Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Trp Asp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C32H38N6O7 (618.2801838)


   

Trp Asp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C32H38N6O7 (618.2801838)


   

Trp Glu Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C27H38N8O9 (618.2761618)


   

Trp Glu Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C27H38N8O9 (618.2761618)


   

Trp Glu Val Trp

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Trp Glu Trp Val

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Trp His Asn Tyr

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

C30H34N8O7 (618.2550334)


   

Trp His Tyr Asn

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

C30H34N8O7 (618.2550334)


   

Trp Ile Asp Trp

(3S)-3-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Trp Ile Trp Asp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Leu Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2801838)


   

Trp Leu Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Met Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624258)


   

Trp Met Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5S (618.2624258)


   

Trp Asn His Tyr

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

C30H34N8O7 (618.2550334)


   

Trp Asn Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.2550334)


   

Trp Asn Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.2550334)


   

Trp Asn Tyr His

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

C30H34N8O7 (618.2550334)


   

Trp Pro Met Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624258)


   

Trp Pro Trp Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C32H38N6O5S (618.2624258)


   

Trp Arg Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]pentanedioic acid

C27H38N8O9 (618.2761618)


   

Trp Val Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Trp Val Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Trp Asp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylpentanoic acid

C32H38N6O7 (618.2801838)


   

Trp Trp Asp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid

C32H38N6O7 (618.2801838)


   

Trp Trp Glu Val

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2801838)


   

Trp Trp Ile Asp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]butanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Trp Leu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]butanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Trp Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5S (618.2624258)


   

Trp Trp Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.2550334)


   

Trp Trp Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C32H38N6O5S (618.2624258)


   

Trp Trp Val Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]pentanedioic acid

C32H38N6O7 (618.2801838)


   

Trp Tyr His Asn

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

C30H34N8O7 (618.2550334)


   

Trp Tyr Asn His

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

C30H34N8O7 (618.2550334)


   

Tyr His His Tyr

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

C30H34N8O7 (618.2550334)


   

Tyr His Asn Trp

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

C30H34N8O7 (618.2550334)


   

Tyr His Trp Asn

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

C30H34N8O7 (618.2550334)


   

Tyr His Tyr His

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

C30H34N8O7 (618.2550334)


   

Tyr Asn His Trp

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

C30H34N8O7 (618.2550334)


   

Tyr Asn Trp His

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

C30H34N8O7 (618.2550334)


   

Tyr Trp His Asn

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

C30H34N8O7 (618.2550334)


   

Tyr Trp Asn His

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

C30H34N8O7 (618.2550334)


   

Tyr Tyr His His

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

C30H34N8O7 (618.2550334)


   

PYPRS

Pro Tyr Pro Arg Ser

C28H42N8O8 (618.3125452)


   

LAMER

Leu Ala Met Glu Arg

C25H46N8O8S (618.3159156)


   

PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1-myo-inositol)

C29H47O12P (618.2804991999999)


   

Simulanoquinoline

2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}methyl)-7-methoxy-2,6-dimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one

C37H34N2O7 (618.2365894)


   

LPI 20:5

1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1-myo-inositol)

C29H47O12P (618.2804991999999)


   

2,2-DI(4-TERT-OCTYLPHENYL)-1-PICRYL-HYDRAZYL, FREE RADICAL

2,2-DI(4-TERT-OCTYLPHENYL)-1-PICRYL-HYDRAZYL, FREE RADICAL

C34H44N5O6 (618.3291423999999)


   
   
   

Fmoc-Asp(OtBu)-(Dmb)Gly-OH

Fmoc-Asp(OtBu)-(Dmb)Gly-OH

C34H38N2O9 (618.2577178)


   

2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(1,1,3-trimethyl-1,3-dihydro-2H -benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-1,1 ,3-trimethyl-1H-benzo[e]indolium chloride

2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(1,1,3-trimethyl-1,3-dihydro-2H -benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-1,1 ,3-trimethyl-1H-benzo[e]indolium chloride

C40H40Cl2N2 (618.2568380000001)


   

Selatogrel

Selatogrel

C28H39N6O8P (618.2566863999999)


C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor

   
   
   

(31R)-8-ethyl-71,71-dihydroxy-12-methylbacteriochlorophyllide c

(31R)-8-ethyl-71,71-dihydroxy-12-methylbacteriochlorophyllide c

C34H34MgN4O6-2 (618.2328724000001)


   

O-methyl-4-O-[2-O-methyl-alpha-L-fucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-2-O-methyl-alpha-L-rhamnopyranosyl]-hydroxybenzoate

O-methyl-4-O-[2-O-methyl-alpha-L-fucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-2-O-methyl-alpha-L-rhamnopyranosyl]-hydroxybenzoate

C28H42O15 (618.2523582)


   

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate

C29H47O12P (618.2804991999999)


   

Guangomide A

Guangomide A

C31H46N4O9 (618.3264626)


A natural product found in Trichothecium speciesMSX 51320.

   

6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)

6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)

C34H38N2O9 (618.2577178)


A natural product found in Scutellaria barbata.

   

alpha-D-abequopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranose

alpha-D-abequopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranose

C24H42O18 (618.2371032000001)


   

alpha-D-abequopyranosyl-(1->3)-[alpha-D-galactopyranosyl-(1->2)]-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranose

alpha-D-abequopyranosyl-(1->3)-[alpha-D-galactopyranosyl-(1->2)]-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranose

C24H42O18 (618.2371032000001)


   

6beta-acetoxy-3beta-(beta-D-glucopyranosyloxy)-8alpha,14-dihydroxybufa-4,20,22-trienolide

6beta-acetoxy-3beta-(beta-D-glucopyranosyloxy)-8alpha,14-dihydroxybufa-4,20,22-trienolide

C33H46O11 (618.3039966)


   

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

Ac-Glu-Ser-Thr-Leu-Gln-OH

Ac-Glu-Ser-Thr-Leu-Gln-OH

C25H42N6O12 (618.2860572)


   

S-linoleoyl-4-phosphopantetheine(2-)

S-linoleoyl-4-phosphopantetheine(2-)

C29H51N2O8PS-2 (618.3103576)


   

3,6-dideoxy-alpha-D-arabino-hexopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-alpha-D-galactopyranose

3,6-dideoxy-alpha-D-arabino-hexopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-alpha-D-galactopyranose

C24H42O18 (618.2371032000001)


   

alpha-paratopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranose

alpha-paratopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranose

C24H42O18 (618.2371032000001)


   

1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

C33H38N4O8 (618.2689508)


   

(4R,7R,8S)-14-(cyclohexanecarbonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

(4R,7R,8S)-14-(cyclohexanecarbonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

C32H41F3N4O5 (618.3028892)


   

N-[(2R,4aS,12aR)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aS,12aR)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aR,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aR,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.265363)


   

S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienethioate

S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienethioate

C29H51N2O8PS (618.3103576)


   

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C29H47O12P (618.2804991999999)


   
   

2-(3-((Z)-3-Tributylstannyl-1-propenoxy)-(2R,3S,5AR,6AS,10AR,12AS)-tetrahydropyrano(3,2-B)oxepano(2,3:6,7)oxepan-2-YL)ethanal

2-(3-((Z)-3-Tributylstannyl-1-propenoxy)-(2R,3S,5AR,6AS,10AR,12AS)-tetrahydropyrano(3,2-B)oxepano(2,3:6,7)oxepan-2-YL)ethanal

C30H58O5Sn (618.3306008)


   

[9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

[9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

C33H46O11 (618.3039966)


   

[1-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[1-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C34H51O8P (618.3321376)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

MC3482

MC3482

C33H38N4O8 (618.2689508)


MC3482 is a specific sirtuin5 (SIRT5) inhibitor.

   

PAR-4 (1-6) amide (human)

PAR-4 (1-6) amide (human)

C28H42N8O8 (618.3125452)


PAR-4 (1-6) amide human is an N-terminal fragment of protease-activated receptor 4 (PAR4). PAR-4 (1-6) amide human induce platelet aggregation[1].

   

6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-4-[(3-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate

6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-4-[(3-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate

C32H42O12 (618.2676132)


   

(1ar,3s,3ar,4r,5r,6r,7as)-5-(formyloxy)-3-(furan-3-yl)-6-[(3r,4r)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl benzoate

(1ar,3s,3ar,4r,5r,6r,7as)-5-(formyloxy)-3-(furan-3-yl)-6-[(3r,4r)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl benzoate

C35H38O10 (618.2464848)


   

9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676132)


   

(4as,5r,8ar)-5-{[(1r,3s,4ar,5r,8as)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1r,3s,4ar,5r,8as)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2828682)


   

4-hydroxy-9a,11a-dimethyl-7-oxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

4-hydroxy-9a,11a-dimethyl-7-oxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

C34H50O8S (618.322622)


   

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,19s,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,19s,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

C32H42O12 (618.2676132)


   

4-(2-amino-3-hydroxy-2-methylpropanamido)-n-[1-(5-{[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-2-hydroxypyrimidin-4-ylidene]benzamide

4-(2-amino-3-hydroxy-2-methylpropanamido)-n-[1-(5-{[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-2-hydroxypyrimidin-4-ylidene]benzamide

C29H42N6O9 (618.3013122)


   

5-[(2-{[(2-carboxyacetyl)oxy]methyl}-3,5-dihydroxy-6-({4-[2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-4-yl)oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

5-[(2-{[(2-carboxyacetyl)oxy]methyl}-3,5-dihydroxy-6-({4-[2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-4-yl)oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C28H42O15 (618.2523582)


   

3-[9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,3,3-trimethyloxiran-2-yl)butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

3-[9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,3,3-trimethyloxiran-2-yl)butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

C34H50O8S (618.322622)


   

(3s,6s,9s,12r,15r,18s)-15-benzyl-5,14-dihydroxy-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadeca-4,13-diene-2,8,11,17-tetrone

(3s,6s,9s,12r,15r,18s)-15-benzyl-5,14-dihydroxy-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadeca-4,13-diene-2,8,11,17-tetrone

C31H46N4O9 (618.3264626)


   

(1r,2s,3as,3br,5as,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

(1r,2s,3as,3br,5as,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676132)


   

1-deoxy-3-methacrylyl-11-methoxymeliacar-pinin

NA

C32H42O12 (618.2676132)


{"Ingredient_id": "HBIN002475","Ingredient_name": "1-deoxy-3-methacrylyl-11-methoxymeliacar-pinin","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "CC(=C)C(=O)OC1CCC23COC(C2C4(C(C5C3C1(CO5)C)OC6(C4(C7CC6C8(C=COC8O7)O)O)C)C)(C(=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5193","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1-deoxy-3-methacrylyl-11-methoxymeliacarpnin

NA

C32H42O12 (618.2676132)


{"Ingredient_id": "HBIN002476","Ingredient_name": "1-deoxy-3-methacrylyl-11-methoxymeliacarpnin","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "NA","Ingredient_weight": "618.677","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9219","PubChem_id": "NA","DrugBank_id": "NA"}

   

Azadirachtin I

NA

C32H42O12 (618.2676132)


{"Ingredient_id": "HBIN017430","Ingredient_name": "Azadirachtin I","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)O)C)OC(=O)C","Ingredient_weight": "618.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "76309325","DrugBank_id": "NA"}

   

1,4-dihydroxy-2-(11-hydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-4-yl)-10-methyl-4-(3-methylbut-2-en-1-yl)acridine-3,9-dione

1,4-dihydroxy-2-(11-hydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-4-yl)-10-methyl-4-(3-methylbut-2-en-1-yl)acridine-3,9-dione

C37H34N2O7 (618.2365894)


   

6-(4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-4h-tetraphen-9-yl)-4-hydroxy-2-methyloxan-3-yl (2e,4e)-deca-2,4-dienoate

6-(4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-4h-tetraphen-9-yl)-4-hydroxy-2-methyloxan-3-yl (2e,4e)-deca-2,4-dienoate

C35H38O10 (618.2464848)


   

(2s)-2-{[(20r)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]methyl}-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one

(2s)-2-{[(20r)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]methyl}-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one

C37H34N2O7 (618.2365894)


   

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577178)


   

(2r,5s)-2-[(4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4h,4ah,6h,7h,8h-pyrano[3,2-b]pyran-2-yl]-5-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol

(2r,5s)-2-[(4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4h,4ah,6h,7h,8h-pyrano[3,2-b]pyran-2-yl]-5-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol

C30H51BrO8 (618.2767106)


   

5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577178)


   

[3,4,5-tris(acetyloxy)-6-{6,9-dimethylidene-3a,4,4',5,5',6a,7,8,9a,9b-decahydrospiro[azuleno[4,5-b]furan-3,3'-pyrazol]-2-oneoxy}oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-{6,9-dimethylidene-3a,4,4',5,5',6a,7,8,9a,9b-decahydrospiro[azuleno[4,5-b]furan-3,3'-pyrazol]-2-oneoxy}oxan-2-yl]methyl acetate

C30H38N2O12 (618.2424628)


   

15-benzyl-5,14-dihydroxy-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadeca-4,13-diene-2,8,11,17-tetrone

15-benzyl-5,14-dihydroxy-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadeca-4,13-diene-2,8,11,17-tetrone

C31H46N4O9 (618.3264626)


   

[(1r,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl (2e)-2-methylbut-2-enoate

[(1r,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl (2e)-2-methylbut-2-enoate

C36H42O9 (618.2828682)


   

(4s)-1,4-dihydroxy-2-[(4s)-11-hydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-4-yl]-10-methyl-4-(3-methylbut-2-en-1-yl)acridine-3,9-dione

(4s)-1,4-dihydroxy-2-[(4s)-11-hydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-4-yl]-10-methyl-4-(3-methylbut-2-en-1-yl)acridine-3,9-dione

C37H34N2O7 (618.2365894)


   

({3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl}oxy)methanimidic acid

({3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl}oxy)methanimidic acid

C32H46N2O10 (618.3152296)


   

2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-4-(sec-butyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-4-(sec-butyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

C30H46N6O6S (618.3199376)


   

(1z,3s,3as,4r,5r,6r,7s,7as)-1-ethylidene-3,5-bis({[(2r)-2-methylbutanoyl]oxy})-7-[(2s)-2-methyloxiran-2-yl]-2-oxo-hexahydrospiro[indene-4,2'-oxiran]-6-yl (2e,4s)-4-(acetyloxy)-3-methylpent-2-enoate

(1z,3s,3as,4r,5r,6r,7s,7as)-1-ethylidene-3,5-bis({[(2r)-2-methylbutanoyl]oxy})-7-[(2s)-2-methyloxiran-2-yl]-2-oxo-hexahydrospiro[indene-4,2'-oxiran]-6-yl (2e,4s)-4-(acetyloxy)-3-methylpent-2-enoate

C33H46O11 (618.3039966)


   

methyl (1r,4s,5r,6r,7r,8s,10s,14s,15s,16r,18s,19s,22s,23s,26s)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

methyl (1r,4s,5r,6r,7r,8s,10s,14s,15s,16r,18s,19s,22s,23s,26s)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

C32H42O12 (618.2676132)


   

(8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl benzoate

(8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl benzoate

C35H38O10 (618.2464848)


   

[(1r,3ar,5ar,6r,7s,9as,11ar)-3a,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-[(sulfooxy)methyl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,3ar,5ar,6r,7s,9as,11ar)-3a,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-[(sulfooxy)methyl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C30H50O9S2 (618.289609)


   

14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

C32H42O12 (618.2676132)


   

(1s,3r,4ar,5s,6r,6ar,10as,10bs)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

(1s,3r,4ar,5s,6r,6ar,10as,10bs)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577178)


   

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2828682)


   

[9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl 2-methylbut-2-enoate

[9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl 2-methylbut-2-enoate

C36H42O9 (618.2828682)


   

methyl (1r,4s,5r,6s,7r,8s,10s,14s,15s,16r,18s,19r,22r,23r,26r)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

methyl (1r,4s,5r,6s,7r,8s,10s,14s,15s,16r,18s,19r,22r,23r,26r)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

C32H42O12 (618.2676132)


   

(1ar,3s,3ar,4r,5r,6r,7as)-5-(formyloxy)-3-(furan-3-yl)-6-[(3r,4s)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl benzoate

(1ar,3s,3ar,4r,5r,6r,7as)-5-(formyloxy)-3-(furan-3-yl)-6-[(3r,4s)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl benzoate

C35H38O10 (618.2464848)


   

8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-3-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-3-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

C36H42O9 (618.2828682)


   

{[13-hydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),4,6,10,18-pentaen-9-yl]oxy}methanimidic acid

{[13-hydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),4,6,10,18-pentaen-9-yl]oxy}methanimidic acid

C32H46N2O10 (618.3152296)


   

(4s,10s,16s,19s)-4-[(2s)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

(4s,10s,16s,19s)-4-[(2s)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

C30H46N6O6S (618.3199376)


   

(4as,5r,8ar)-5-{[(1r,3s,4as,7s,8as)-3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1r,3s,4as,7s,8as)-3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2828682)


   

{[(4e,6z,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-25-oxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

{[(4e,6z,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-25-oxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

C32H46N2O10 (618.3152296)


   

{[(8s,9s,12s,13r,14s,16s)-3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl]oxy}methanimidic acid

{[(8s,9s,12s,13r,14s,16s)-3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl]oxy}methanimidic acid

C32H46N2O10 (618.3152296)


   

2,2-dimethyl-n-[(1s)-3-methyl-1-{methyl[(1r)-2-phenyl-1-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]carbamoyl}butyl]-3-oxohexanimidic acid

2,2-dimethyl-n-[(1s)-3-methyl-1-{methyl[(1r)-2-phenyl-1-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]carbamoyl}butyl]-3-oxohexanimidic acid

C35H46N4O4S (618.3239596)


   

4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C32H42O12 (618.2676132)


   

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

C32H42O12 (618.2676132)


   

4,8,15,19,26,30-hexahydroxy-1-thia-4,9,15,20,26,31-hexaazacyclotritriaconta-8,19,30-triene-5,16,27-trione

4,8,15,19,26,30-hexahydroxy-1-thia-4,9,15,20,26,31-hexaazacyclotritriaconta-8,19,30-triene-5,16,27-trione

C26H46N6O9S (618.3046826)


   

(1s,3as,3br,4r,9s,9as,9bs,11as)-4-hydroxy-9a,11a-dimethyl-7-oxo-1-[(1s)-1-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

(1s,3as,3br,4r,9s,9as,9bs,11as)-4-hydroxy-9a,11a-dimethyl-7-oxo-1-[(1s)-1-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

C34H50O8S (618.322622)


   

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-{[3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-{[3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2828682)


   

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

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

C33H46O11 (618.3039966)


   

(3s,4ar,5s,6r,6ar,10r,10as,10br)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-10-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

(3s,4ar,5s,6r,6ar,10r,10as,10br)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-10-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577178)


   

(4s,10s,16s,19s)-4-[(2r)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

(4s,10s,16s,19s)-4-[(2r)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

C30H46N6O6S (618.3199376)


   

(1s,2s,4s,5r,6r,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2s,4s,5r,6r,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C32H42O12 (618.2676132)


   

(1r,2s,3r,4s,4as,8ar)-4-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl pyridine-3-carboxylate

(1r,2s,3r,4s,4as,8ar)-4-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577178)


   

methyl 7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

methyl 7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

C32H42O12 (618.2676132)


   

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O12 (618.2676132)


   

(2r,3s)-3-[(1r,3as,3bs,4r,9s,9ar,9bs,11ar)-9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2s)-2,3,3-trimethyloxiran-2-yl]butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

(2r,3s)-3-[(1r,3as,3bs,4r,9s,9ar,9bs,11ar)-9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2s)-2,3,3-trimethyloxiran-2-yl]butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

C34H50O8S (618.322622)


   

1-ethylidene-3,5-bis[(2-methylbutanoyl)oxy]-7-(2-methyloxiran-2-yl)-2-oxo-hexahydrospiro[indene-4,2'-oxiran]-6-yl 4-(acetyloxy)-3-methylpent-2-enoate

1-ethylidene-3,5-bis[(2-methylbutanoyl)oxy]-7-(2-methyloxiran-2-yl)-2-oxo-hexahydrospiro[indene-4,2'-oxiran]-6-yl 4-(acetyloxy)-3-methylpent-2-enoate

C33H46O11 (618.3039966)


   

(1r,17r)-11,27-dimethoxy-16,32-dimethyl-8,25,35,38-tetraoxa-16,32-diazanonacyclo[20.10.3.2⁶,¹⁰.1³,⁷.1⁹,¹³.1¹⁹,²³.0²⁶,³⁴.0²⁹,³³.0¹⁷,³⁷]tetraconta-3,5,7(40),9,11,13(37),19,21,23(36),26(34),27,29(33)-dodecaene

(1r,17r)-11,27-dimethoxy-16,32-dimethyl-8,25,35,38-tetraoxa-16,32-diazanonacyclo[20.10.3.2⁶,¹⁰.1³,⁷.1⁹,¹³.1¹⁹,²³.0²⁶,³⁴.0²⁹,³³.0¹⁷,³⁷]tetraconta-3,5,7(40),9,11,13(37),19,21,23(36),26(34),27,29(33)-dodecaene

C38H38N2O6 (618.2729727999999)


   

4-[(2s)-2-amino-3-hydroxy-2-methylpropanamido]-n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}benzamide

4-[(2s)-2-amino-3-hydroxy-2-methylpropanamido]-n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}benzamide

C29H42N6O9 (618.3013122)


   

[(2r,3r,4s,5r,6r)-6-[(3s,3as,6ar,8s,9ar,9br)-6,9-dimethylidene-3a,4,4',5,5',6a,7,8,9a,9b-decahydrospiro[azuleno[4,5-b]furan-3,3'-pyrazol]-2-oneoxy]-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6r)-6-[(3s,3as,6ar,8s,9ar,9br)-6,9-dimethylidene-3a,4,4',5,5',6a,7,8,9a,9b-decahydrospiro[azuleno[4,5-b]furan-3,3'-pyrazol]-2-oneoxy]-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate

C30H38N2O12 (618.2424628)


   

(1r,2s,3as,5as,9as,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

(1r,2s,3as,5as,9as,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676132)


   

(1s,2s,4s,7r,9r,13s,14r,16s,17s)-4-(benzoyloxy)-15-methoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate

(1s,2s,4s,7r,9r,13s,14r,16s,17s)-4-(benzoyloxy)-15-methoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate

C35H38O10 (618.2464848)


   

5-(formyloxy)-3-(furan-3-yl)-6-[3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl benzoate

5-(formyloxy)-3-(furan-3-yl)-6-[3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl benzoate

C35H38O10 (618.2464848)


   

(3s)-5-{[(2r,3r,4s,5r,6r)-2-{[(2-carboxyacetyl)oxy]methyl}-3,5-dihydroxy-6-{[(2r)-4-[(1s)-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

(3s)-5-{[(2r,3r,4s,5r,6r)-2-{[(2-carboxyacetyl)oxy]methyl}-3,5-dihydroxy-6-{[(2r)-4-[(1s)-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C28H42O15 (618.2523582)


   

4-[(2r)-2-amino-3-hydroxy-2-methylpropanamido]-n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}benzamide

4-[(2r)-2-amino-3-hydroxy-2-methylpropanamido]-n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}benzamide

C29H42N6O9 (618.3013122)


   

(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl (2z)-2-methylbut-2-enoate

(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl (2z)-2-methylbut-2-enoate

C32H42O12 (618.2676132)


   

[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid

[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid

C30H50O9S2 (618.289609)


   

2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}methyl)-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one

2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}methyl)-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one

C37H34N2O7 (618.2365894)


   

2',7-dimethoxy-1,8'-bis(3-methylbut-2-en-1-yl)-9h,9'h,10h,10'h-[3,3'-biphenanthrene]-2,4',5,7'-tetrol

2',7-dimethoxy-1,8'-bis(3-methylbut-2-en-1-yl)-9h,9'h,10h,10'h-[3,3'-biphenanthrene]-2,4',5,7'-tetrol

C40H42O6 (618.2981232)


   

(1r,17r)-27,38-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.2¹⁰,¹³.1³,⁷.1⁶,¹¹.1¹⁹,²³.0¹²,¹⁷.0²⁶,³⁴.0²⁹,³³]tetraconta-3,5,7(40),10,12,19,21,23(36),26(34),27,29(33),37-dodecaene

(1r,17r)-27,38-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.2¹⁰,¹³.1³,⁷.1⁶,¹¹.1¹⁹,²³.0¹²,¹⁷.0²⁶,³⁴.0²⁹,³³]tetraconta-3,5,7(40),10,12,19,21,23(36),26(34),27,29(33),37-dodecaene

C38H38N2O6 (618.2729727999999)


   

(1r,2r,3as,3br,7s,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

(1r,2r,3as,3br,7s,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676132)


   

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

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

C33H46O11 (618.3039966)


   

(3r,3as,4r,6r,6as,7r,8r,9br)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate

(3r,3as,4r,6r,6as,7r,8r,9br)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate

C32H42O12 (618.2676132)


   

(1r,3s,4r,8r,12s)-3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

(1r,3s,4r,8r,12s)-3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

C36H42O9 (618.2828682)


   

(2r)-n-[(2s)-1-[(2s,3ar,5s,6s,7as)-2-{[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxy-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxy-3-(sulfooxy)propanimidic acid

(2r)-n-[(2s)-1-[(2s,3ar,5s,6s,7as)-2-{[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxy-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxy-3-(sulfooxy)propanimidic acid

C25H42N6O10S (618.2682992)


   

(2s,5s)-2-[(4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4h,4ah,6h,7h,8h-pyrano[3,2-b]pyran-2-yl]-5-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol

(2s,5s)-2-[(4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4h,4ah,6h,7h,8h-pyrano[3,2-b]pyran-2-yl]-5-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol

C30H51BrO8 (618.2767106)


   

3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

C36H42O9 (618.2828682)