Exact Mass: 629.2849

Exact Mass Matches: 629.2849

Found 156 metabolites which its exact mass value is equals to given mass value 629.2849, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Indaconitine

[(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C34H47NO10 (629.32)

Indaconitine is a diterpenoid. Indaconitine is a natural product found in Aconitum hemsleyanum and Aconitum vilmorinianum with data available. Indaconitine is a natural product.

Falaconitine

C34H47NO10 (629.32)

Pirarubicinol

10-{[4-amino-6-methyl-5-(oxan-2-yloxy)oxan-2-yl]oxy}-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C32H39NO12 (629.2472)

Indaconitone

Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1.alpha.,3.alpha.,6.alpha.,14.alpha.,16.beta.)-

C34H47NO10 (629.32)

Acetylbenzoylpseudaconine is a natural product found in Aconitum transsectum, Aconitum chasmanthum, and other organisms with data available. Indaconitine is a natural product.

deoxyaconitine

Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

C34H47NO10 (629.32)

A diterpene alkaloid with formula C34H47NO10 that is isolated from several Aconitum species. 3-Deoxyaconitine is a natural product found in Aconitum polyschistum, Aconitum flavum, and other organisms with data available. 3-Deoxyaconitine a diterpenoid alkaloid, is a sodium channel activator[1]. 3-Deoxyaconitine a diterpenoid alkaloid, is a sodium channel activator[1].

C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)

NCGC00380703-01_C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-

C29H48ClN5O8 (629.3191)

Asp Phe Trp Tyr

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

C33H35N5O8 (629.2486)

Asp Phe Tyr Trp

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

C33H35N5O8 (629.2486)

Asp Trp Phe Tyr

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

C33H35N5O8 (629.2486)

Asp Trp Tyr Phe

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

C33H35N5O8 (629.2486)

Asp Tyr Phe Trp

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

C33H35N5O8 (629.2486)

Asp Tyr Trp Phe

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

C33H35N5O8 (629.2486)

Glu Arg Tyr Tyr

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C29H39N7O9 (629.2809)

Glu Tyr Arg Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C29H39N7O9 (629.2809)

Glu Tyr Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C29H39N7O9 (629.2809)

Phe Asp Trp Tyr

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

C33H35N5O8 (629.2486)

Phe Asp Tyr Trp

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

C33H35N5O8 (629.2486)

Phe Phe Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C34H39N5O5S (629.2672)

Phe Phe Trp Met

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

C34H39N5O5S (629.2672)

Phe Met Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C34H39N5O5S (629.2672)

Phe Met Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C34H39N5O5S (629.2672)

Phe Trp Asp Tyr

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

C33H35N5O8 (629.2486)

Phe Trp Phe Met

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

C34H39N5O5S (629.2672)

Phe Trp Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C34H39N5O5S (629.2672)

Phe Trp Tyr Asp

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

C33H35N5O8 (629.2486)

Phe Tyr Asp Trp

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

C33H35N5O8 (629.2486)

Phe Tyr Trp Asp

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

C33H35N5O8 (629.2486)

Met Phe Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C34H39N5O5S (629.2672)

Met Phe Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C34H39N5O5S (629.2672)

Met Trp Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C34H39N5O5S (629.2672)

Arg Glu Tyr Tyr

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C29H39N7O9 (629.2809)

Arg Tyr Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C29H39N7O9 (629.2809)

Arg Tyr Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C29H39N7O9 (629.2809)

Val Trp Tyr Tyr

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

C34H39N5O7 (629.2849)

Val Tyr Trp Tyr

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

C34H39N5O7 (629.2849)

Val Tyr Tyr Trp

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

C34H39N5O7 (629.2849)

Trp Asp Phe Tyr

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

C33H35N5O8 (629.2486)

Trp Asp Tyr Phe

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

C33H35N5O8 (629.2486)

Trp Phe Asp Tyr

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

C33H35N5O8 (629.2486)

Trp Phe Phe Met

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

C34H39N5O5S (629.2672)

Trp Phe Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C34H39N5O5S (629.2672)

Trp Phe Tyr Asp

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

C33H35N5O8 (629.2486)

Trp Met Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C34H39N5O5S (629.2672)

Trp Val Tyr Tyr

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

C34H39N5O7 (629.2849)

Trp Tyr Asp Phe

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

C33H35N5O8 (629.2486)

Trp Tyr Phe Asp

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

C33H35N5O8 (629.2486)

Trp Tyr Val Tyr

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

C34H39N5O7 (629.2849)

Trp Tyr Tyr Val

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

C34H39N5O7 (629.2849)

Tyr Asp Phe Trp

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

C33H35N5O8 (629.2486)

Tyr Asp Trp Phe

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

C33H35N5O8 (629.2486)

Tyr Glu Arg Tyr

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C29H39N7O9 (629.2809)

Tyr Glu Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C29H39N7O9 (629.2809)

Tyr Phe Asp Trp

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

C33H35N5O8 (629.2486)

Tyr Phe Trp Asp

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

C33H35N5O8 (629.2486)

Tyr Arg Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C29H39N7O9 (629.2809)

Tyr Arg Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C29H39N7O9 (629.2809)

Tyr Val Trp Tyr

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

C34H39N5O7 (629.2849)

Tyr Val Tyr Trp

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

C34H39N5O7 (629.2849)

Tyr Trp Asp Phe

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

C33H35N5O8 (629.2486)

Tyr Trp Phe Asp

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

C33H35N5O8 (629.2486)

Tyr Trp Val Tyr

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

C34H39N5O7 (629.2849)

Tyr Trp Tyr Val

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

C34H39N5O7 (629.2849)

Tyr Tyr Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C29H39N7O9 (629.2809)

Tyr Tyr Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C29H39N7O9 (629.2809)

Tyr Tyr Val Trp

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

C34H39N5O7 (629.2849)

Tyr Tyr Trp Val

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

C34H39N5O7 (629.2849)

MQPRV

Met Gln Pro Arg Val

C26H47N9O7S (629.3319)

TVTFY

Thr Val Thr Phe Tyr

C31H43N5O9 (629.3061)

TYR-D-ALA-GLY-PHE-D-LEU ACETATE SALT

C31H43N5O9 (629.3061)

N-2-Hydroxy-3-[[2-(Methoxyphenoxy)ethyl]aMine Carvedilol

C36H43N3O7 (629.3101)

4-(10,15,20-Triphenyl-21H,23H-porphin-5-yl)benzenamine

C44H31N5 (629.2579)

N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-ethylaniline

C48H39N (629.3082)

1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2,4,6-triphenylpyridinium perchlorate hydrate (1:1:1)

C37H38NO.ClO4.H2O (629.2544)

Upamostat

C32H47N5O6S (629.3247)

C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

(3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate

C36H43N3O7 (629.3101)

Pirarubicinol

C32H39NO12 (629.2472)

HPG-Beta2-N4a

C24H43N3O16 (629.2643)

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

C35H39N3O6S (629.2559)

5-aminopentyl beta-D-glucopyranosyl-(1->3)-4-O-acetyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl-(1->3)-beta-D-glucopyranoside

C26H47NO16 (629.2895)

GlcNAcbeta1-3[GlcNAcbeta1-6]GalNAc-ol

C24H43N3O16 (629.2643)

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C24H43N3O16 (629.2643)

[(1S,2R,3R,4R,5R,6S,7S,8R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C34H47NO10 (629.32)

[(1S,2R,3R,4R,5R,6S,7S,8R,10S,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C34H47NO10 (629.32)

Lnaps 7:0/N-18:4

C31H52NO10P (629.3329)

Lnaps 3:0/N-22:4

C31H52NO10P (629.3329)

Lnaps 22:4/N-3:0

C31H52NO10P (629.3329)

Lnaps 5:0/N-20:4

C31H52NO10P (629.3329)

Lnaps 18:4/N-7:0

C31H52NO10P (629.3329)

Lnaps 20:4/N-5:0

C31H52NO10P (629.3329)

2-amino-3-[hydroxy-[2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

C31H52NO10P (629.3329)

2-amino-3-[[3-heptanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H52NO10P (629.3329)

2-amino-3-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-nonanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H52NO10P (629.3329)

2-amino-3-[[2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H52NO10P (629.3329)

N-acetyl-D-galactosaminyl-(1->4)-(N-acetyl-D-galactosaminyl)-(1->3)-N-acetyl-D-galactosaminitol

C24H43N3O16 (629.2643)

An amino disaccharide compound consisting of N-acetyl-D-galactosaminyl-(1->4)-N-acetyl-D-galactosamine attached to N-acetyl-D-galactosaminitol via a (1->3)-linkage.

PC 14:1/9:4;O2

C31H52NO10P (629.3329)

PC 18:4/5:1;O2

C31H52NO10P (629.3329)

PC 23:5;O2

C31H52NO10P (629.3329)

PE O-26:6;O3

C31H52NO10P (629.3329)

PE P-18:1/8:4;O3

C31H52NO10P (629.3329)

PE 18:2/8:3;O2

C31H52NO10P (629.3329)

PE 18:3/7:3;O3

C30H48NO11P (629.2965)

PE 18:3/8:2;O2

C31H52NO10P (629.3329)

PE 18:4/7:2;O3

C30H48NO11P (629.2965)

PE 18:4/8:1;O2

C31H52NO10P (629.3329)

PE 22:4/4:1;O2

C31H52NO10P (629.3329)

PE 25:6;O3

C30H48NO11P (629.2965)

PE 26:5;O2

C31H52NO10P (629.3329)

LNAPS 24:5;O

C30H48NO11P (629.2965)

LNAPS 25:4

C31H52NO10P (629.3329)

PS O-25:5;O

C31H52NO10P (629.3329)

PS P-18:1/7:3;O

C31H52NO10P (629.3329)

PS 18:3/6:2;O

C30H48NO11P (629.2965)

PS 20:4/4:1;O

C30H48NO11P (629.2965)

PS 24:5;O

C30H48NO11P (629.2965)

ST 22:2;O8;HexNAc

C30H47NO13 (629.3047)

ST 25:7;O6;HexNAc

C33H43NO11 (629.2836)

ST 26:6;O5;HexNAc

C34H47NO10 (629.32)

ST 29:3;O7;Tau

C31H51NO10S (629.3234)

[(1s,4r,9r,10r,13r,14r)-14-hydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C37H43NO8 (629.2989)

2-[({1-[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(methylsulfanyl)butanoic acid

2-[({1-[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(methylsulfanyl)butanoic acid

C30H43N7O6S (629.2995)

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

4-methylaconitane-1,6,8,13,14,15,16,18-octol; (1α,6α,14α,15α,16β)-form,o6,o16,o18-tri-me,14-benzoyl,8,n-di-ac

C33H43NO11 (629.2836)

{"Ingredient_id": "HBIN010683","Ingredient_name": "4-methylaconitane-1,6,8,13,14,15,16,18-octol; (1\u03b1,6\u03b1,14\u03b1,15\u03b1,16\u03b2)-form,o6,o16,o18-tri-me,14-benzoyl,8,n-di-ac","Alias": "NA","Ingredient_formula": "C33H43NO11","Ingredient_Smile": "NA","Ingredient_weight": "629.69","OB_score": "NA","CAS_id": "125263-92-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7777","PubChem_id": "NA","DrugBank_id": "NA"}

aldohypaconitine

C33H43NO11 (629.2836)

{"Ingredient_id": "HBIN015104","Ingredient_name": "aldohypaconitine","Alias": "NA","Ingredient_formula": "C33H43NO11","Ingredient_Smile": "CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C=O)OC)COC)OC","Ingredient_weight": "629.69","OB_score": "NA","CAS_id": "159602-66-1","SymMap_id": "NA","TCMID_id": "877","TCMSP_id": "NA","TCM_ID_id": "7047","PubChem_id": "NA","DrugBank_id": "NA"}

aristoloin i

C37H43NO8 (629.2989)

{"Ingredient_id": "HBIN016813","Ingredient_name": "aristoloin i","Alias": "NA","Ingredient_formula": "C37H43NO8","Ingredient_Smile": "CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(COC(=O)C5=CC6=C(C7=C8C=CC=C(C8=CC(=C57)[N+](=O)[O-])OC)OCO6)O)C)C","Ingredient_weight": "629.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1721","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101260745","DrugBank_id": "NA"}

(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9,14-trimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate

C34H47NO10 (629.32)

(1r,2r,3r,4r,5r,6s,7s,8s,9s,10s,13s,16s,17r,18s)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1r,2r,3r,4r,5r,6s,7s,8s,9s,10s,13s,16s,17r,18s)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

{13-hydroxy-11-methoxy-9-[2-(3-methoxy-2-methylbut-1-en-1-yl)-1,3-oxazol-4-yl]-4,6-dimethyl-17-methylidene-7-oxo-8,19-dioxabicyclo[13.3.1]nonadecan-3-yl}oxyphosphonic acid

C30H48NO11P (629.2965)

5-amino-6-({5-[(3-amino-6-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-5-(methylamino)cyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-2-(aminomethyl)oxane-3,4-diol

C24H47N5O14 (629.3119)

8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

n-{3-[3-(3,4-dihydroxyphenyl)-n-(4-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

C35H39N3O8 (629.2737)

8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(1s,2r,3r,4r,5r,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(1s,2r,3r,4r,6s,8s,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,6s,8s,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(2e)-n-{3-[(2e)-3-(3,4-dihydroxyphenyl)-n-(4-{[(2e)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

C35H39N3O8 (629.2737)

(1s,4r,9r,10r,13r,14r)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C37H43NO8 (629.2989)

(2s,3s,5s,8r,13r,17r)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

[(1r,3s,4s,6s,9s,11s,13r,15s)-13-hydroxy-11-methoxy-9-{2-[(1e,3r)-3-methoxy-2-methylbut-1-en-1-yl]-1,3-oxazol-4-yl}-4,6-dimethyl-17-methylidene-7-oxo-8,19-dioxabicyclo[13.3.1]nonadecan-3-yl]oxyphosphonic acid

[(1r,3s,4s,6s,9s,11s,13r,15s)-13-hydroxy-11-methoxy-9-{2-[(1e,3r)-3-methoxy-2-methylbut-1-en-1-yl]-1,3-oxazol-4-yl}-4,6-dimethyl-17-methylidene-7-oxo-8,19-dioxabicyclo[13.3.1]nonadecan-3-yl]oxyphosphonic acid

C30H48NO11P (629.2965)

(1s,2r,3r,4r,5r,6s,7s,11r,12r,13r,16r,17r,19s,20s,21r)-5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9,14-trimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,7s,11r,12r,13r,16r,17r,19s,20s,21r)-5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9,14-trimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate

C34H47NO10 (629.32)

(2s)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-4-(methylsulfanyl)butanoic acid

(2s)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-4-(methylsulfanyl)butanoic acid

C30H43N7O6S (629.2995)

(2r,3r,4r,5r,6s,7s,8r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(3s,6s,9s,21as)-3-[(2s)-butan-2-yl]-16-(3-chloro-2-hydroxypropyl)-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

(3s,6s,9s,21as)-3-[(2s)-butan-2-yl]-16-(3-chloro-2-hydroxypropyl)-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

C29H48ClN5O8 (629.3191)

(1r,2r,3r,4r,5r,6s,7s,8s,9s,10s,13s,16s,18s)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1r,2r,3r,4r,5r,6s,7s,8s,9s,10s,13s,16s,18s)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(1s,2r,3r,4r,5r,6s,7s,8r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,7s,8r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO10 (629.32)

(1r,4r,9r)-4-amino-9-[(1s,4s,7s,8s,9r)-7,8-dihydroxy-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-isopropyl-5-methyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-7,10,12,14-tetraene-3,6-dione

(1r,4r,9r)-4-amino-9-[(1s,4s,7s,8s,9r)-7,8-dihydroxy-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-isopropyl-5-methyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-7,10,12,14-tetraene-3,6-dione

C32H35N7O7 (629.2598)