Exact Mass: 629.2559

Exact Mass Matches: 629.2559

Found 109 metabolites which its exact mass value is equals to given mass value 629.2559, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

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)

71-hydroxychlorophyllide a

C35H33MgN4O6 (629.225)

71-hydroxychlorophyllide a can be found in a number of food items such as pepper (c. annuum), cassava, thistle, and common oregano, which makes 71-hydroxychlorophyllide a a potential biomarker for the consumption of these food products.

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 Met Trp Tyr

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

C30H39N5O6S2 (629.2342)

Met Met Tyr Trp

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

C30H39N5O6S2 (629.2342)

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)

Met Trp Met Tyr

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

C30H39N5O6S2 (629.2342)

Met Trp Tyr Met

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

C30H39N5O6S2 (629.2342)

Met Tyr Met Trp

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

C30H39N5O6S2 (629.2342)

Met Tyr Trp Met

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

C30H39N5O6S2 (629.2342)

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 Met Met Tyr

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

C30H39N5O6S2 (629.2342)

Trp Met Tyr Met

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

C30H39N5O6S2 (629.2342)

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 Met Met

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

C30H39N5O6S2 (629.2342)

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 Met Met Trp

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

C30H39N5O6S2 (629.2342)

Tyr Met Trp Met

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

C30H39N5O6S2 (629.2342)

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 Met Met

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

C30H39N5O6S2 (629.2342)

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)

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

C44H31N5 (629.2579)

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

C37H38NO.ClO4.H2O (629.2544)

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)

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.

PE 18:3/7:3;O3

C30H48NO11P (629.2965)

PE 18:4/7:2;O3

C30H48NO11P (629.2965)

PE 25:6;O3

C30H48NO11P (629.2965)

LNAPS 24:5;O

C30H48NO11P (629.2965)

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)

[(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)

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"}

{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)

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)

(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)

[(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)

(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)

(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)