Exact Mass: 490.1708

Exact Mass Matches: 490.1708

Found 167 metabolites which its exact mass value is equals to given mass value 490.1708, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

BMS-268770

2-[5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-yl]-N-[4-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]methyl]phenyl]acetamide

C23H30N4O4S2 (490.1708)


   

Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]

1-{2,4-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-one

C21H30O13 (490.1686)


Phloroacetophenone 6-[xylosyl-(1->6)-glucoside] is found in fats and oils. Phloroacetophenone 6-[xylosyl-(1->6)-glucoside] is a constituent of Sapium sebiferum (Chinese tallowtree). Constituent of Sapium sebiferum (Chinese tallowtree). Phloroacetophenone 6-[xylosyl-(1->6)-glucoside] is found in fats and oils.

   

Edulisin I

8-(2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-H]chromen-9-yl 3-methylbut-2-enoic acid

C28H26O8 (490.1628)


Edulisin I is found in green vegetables. Edulisin I is a constituent of Angelica edulis

   

Apogossypolone

1,4,6,7-tetrahydroxy-3,3-dimethyl-5,5-bis(propan-2-yl)-1,4,6,7-tetrahydro-[2,2-binaphthalene]-1,4,6,7-tetrone

C28H26O8 (490.1628)


   

6-O-beta-Apiofuranosylsweroside

6-O-beta-Apiofuranosylsweroside

C21H30O13 (490.1686)


   

TEUCARDOSIDE

TEUCARDOSIDE

C21H30O13 (490.1686)


   

Acetylbarlerin

Acetylbarlerin

C21H30O13 (490.1686)


   

Erythroxyloside B

Erythroxyloside B

C21H30O13 (490.1686)


   

Oprea1_695152

Oprea1_695152

C25H26N6O3S (490.1787)


   

6-O-beta-D-Apiofuranosylsweroside

6-O-beta-D-Apiofuranosylsweroside

C21H30O13 (490.1686)


   

MMV689029

MMV689029

C26H26N4O4S (490.1675)


   

2,3,4,5-Tetrahydroxyhexyl glycoside-beta-D-Pyranose-6-O-(3,4-Dihydroxycinnamoyl)glucose

2,3,4,5-Tetrahydroxyhexyl glycoside-beta-D-Pyranose-6-O-(3,4-Dihydroxycinnamoyl)glucose

C21H30O13 (490.1686)


   

Angeladin

Angeladin

C28H26O8 (490.1628)


   

(2RS)-2-(4-O-beta-D-glucopyranosylphenyl) propionyl beta-D-glucopyranoside

(2RS)-2-(4-O-beta-D-glucopyranosylphenyl) propionyl beta-D-glucopyranoside

C21H30O13 (490.1686)


   

Picrasidine N

Picrasidine N

C29H22N4O4 (490.1641)


   

C21H30O13

C21H30O13 (490.1686)


   

Picrasidine M

Picrasidine M

C29H22N4O4 (490.1641)


   

3-methoxybenzoic acid methyl ester 4-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-allopyranoside|keteleeroside A

3-methoxybenzoic acid methyl ester 4-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-allopyranoside|keteleeroside A

C21H30O13 (490.1686)


   

3-hydroxybenzoic acid methyl ester 4-O-(3-O-methyl-alpha-L-rhamnopyranosyl)-(1->2)-beta-D-allopyranoside|keteleeroside B

3-hydroxybenzoic acid methyl ester 4-O-(3-O-methyl-alpha-L-rhamnopyranosyl)-(1->2)-beta-D-allopyranoside|keteleeroside B

C21H30O13 (490.1686)


   

CHEMBL282966

CHEMBL282966

C28H26O8 (490.1628)


   

2,6-dihydroxy-4-methoxy-acetophenone 2-O-beta-rutinoside

2,6-dihydroxy-4-methoxy-acetophenone 2-O-beta-rutinoside

C21H30O13 (490.1686)


   

Ebractelatinoside C

Ebractelatinoside C

C21H30O13 (490.1686)


   

everninic acid methyl ester 2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|Everninic acid methyl ester 2-O-??-xylopyranosyl-(1鈥樏傗垎6)-??-glucopyranoside

everninic acid methyl ester 2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|Everninic acid methyl ester 2-O-??-xylopyranosyl-(1鈥樏傗垎6)-??-glucopyranoside

C21H30O13 (490.1686)


   

Barbatoside

Barbatoside

C21H30O13 (490.1686)


   

2,4-dihydroxy-6-methoxy-3-methylacetophenone 4-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside

2,4-dihydroxy-6-methoxy-3-methylacetophenone 4-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside

C21H30O13 (490.1686)


   

Asp Gln Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

6-O-β-Apiofuranosylsweroside

(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

C21H30O13 (490.1686)


6-O-beta-D-Apiofuranosylsweroside is a natural product found in Lonicera quinquelocularis with data available.

   

Tectoruside

1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone

C21H30O13 (490.1686)


   

C21H30O13_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

NCGC00347644-02_C21H30O13_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

C21H30O13 (490.1686)


   

C21H30O13_(1S,4aS,7aR)-4a-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside

NCGC00384555-01_C21H30O13_(1S,4aS,7aR)-4a-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside

C21H30O13 (490.1686)


   

(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

C21H30O13 (490.1686)


   

(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one

(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one

C21H30O13 (490.1686)


   

(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one_major

(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one_major

C21H30O13 (490.1686)


   

(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one_major

(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one_major

C21H30O13 (490.1686)


   

Cys His Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C18H30N6O6S2 (490.1668)


   

Cys His Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C18H30N6O6S2 (490.1668)


   

Cys Met His Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid

C18H30N6O6S2 (490.1668)


   

Cys Met Thr His

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O6S2 (490.1668)


   

Cys Thr His Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C18H30N6O6S2 (490.1668)


   

Cys Thr Met His

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O6S2 (490.1668)


   

Asp Asp Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C17H26N6O11 (490.1659)


   

Asp Asp Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C17H26N6O11 (490.1659)


   

Asp Glu Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9S (490.1733)


   

Asp Glu Asn Asn

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C17H26N6O11 (490.1659)


   

Asp Glu Pro Met

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-5-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C19H30N4O9S (490.1733)


   

Asp Met Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9S (490.1733)


   

Asp Met Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C19H30N4O9S (490.1733)


   

Asp Asn Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C17H26N6O11 (490.1659)


   

Asp Asn Glu Asn

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C17H26N6O11 (490.1659)


   

Asp Asn Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]pentanedioic acid

C17H26N6O11 (490.1659)


   

Asp Asn Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Asp Pro Glu Met

(4S)-4-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H30N4O9S (490.1733)


   

Asp Pro Met Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H30N4O9S (490.1733)


   

Asp Gln Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C17H26N6O11 (490.1659)


   

Glu Asp Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9S (490.1733)


   

Glu Asp Asn Asn

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

C17H26N6O11 (490.1659)


   

Glu Asp Pro Met

(4S)-4-amino-4-{[(2S)-3-carboxy-1-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid

C19H30N4O9S (490.1733)


   

Glu Met Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9S (490.1733)


   

Glu Met Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9S (490.1733)


   

Glu Asn Asp Asn

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C17H26N6O11 (490.1659)


   

Glu Asn Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Glu Pro Asp Met

(4S)-4-amino-5-[(2S)-2-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C19H30N4O9S (490.1733)


   

Glu Pro Met Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]butanedioic acid

C19H30N4O9S (490.1733)


   

His Cys Met Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C18H30N6O6S2 (490.1668)


   

His Cys Thr Met

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C18H30N6O6S2 (490.1668)


   

His Met Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C18H30N6O6S2 (490.1668)


   

His Met Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C18H30N6O6S2 (490.1668)


   

His Thr Cys Met

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C18H30N6O6S2 (490.1668)


   

His Thr Met Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C18H30N6O6S2 (490.1668)


   

Met Cys His Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid

C18H30N6O6S2 (490.1668)


   

Met Cys Thr His

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O6S2 (490.1668)


   

Met Asp Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9S (490.1733)


   

Met Asp Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C19H30N4O9S (490.1733)


   

Met Glu Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9S (490.1733)


   

Met Glu Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9S (490.1733)


   

Met His Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C18H30N6O6S2 (490.1668)


   

Met His Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C18H30N6O6S2 (490.1668)


   

Met Pro Asp Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]pentanedioic acid

C19H30N4O9S (490.1733)


   

Met Pro Glu Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]butanedioic acid

C19H30N4O9S (490.1733)


   

Met Thr Cys His

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O6S2 (490.1668)


   

Met Thr His Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C18H30N6O6S2 (490.1668)


   

Asn Asp Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C17H26N6O11 (490.1659)


   

Asn Asp Glu Asn

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C17H26N6O11 (490.1659)


   

Asn Asp Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]pentanedioic acid

C17H26N6O11 (490.1659)


   

Asn Asp Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Asn Glu Asp Asn

(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

C17H26N6O11 (490.1659)


   

Asn Glu Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Asn Asn Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]pentanedioic acid

C17H26N6O11 (490.1659)


   

Asn Asn Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Asn Gln Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Pro Asp Glu Met

(4S)-4-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H30N4O9S (490.1733)


   

Pro Asp Met Glu

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H30N4O9S (490.1733)


   

Pro Glu Asp Met

(4S)-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C19H30N4O9S (490.1733)


   

Pro Glu Met Asp

(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C19H30N4O9S (490.1733)


   

Pro Met Asp Glu

(2S)-2-[(2S)-3-carboxy-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]pentanedioic acid

C19H30N4O9S (490.1733)


   

Pro Met Glu Asp

(2S)-2-[(2S)-4-carboxy-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]butanedioic acid

C19H30N4O9S (490.1733)


   

Gln Asp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C17H26N6O11 (490.1659)


   

Gln Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Gln Asn Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]butanedioic acid

C17H26N6O11 (490.1659)


   

Thr Cys His Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C18H30N6O6S2 (490.1668)


   

Thr Cys Met His

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O6S2 (490.1668)


   

Thr His Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C18H30N6O6S2 (490.1668)


   

Thr His Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C18H30N6O6S2 (490.1668)


   

Thr Met Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O6S2 (490.1668)


   

Thr Met His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C18H30N6O6S2 (490.1668)


   

Edulisin I

8-(2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate

C28H26O8 (490.1628)


   

Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]

1-{2,4-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-one

C21H30O13 (490.1686)


   

6-O--D-Apiofuranosylsweroside

(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside+

C21H30O13 (490.1686)


   

2-benzofuran-1,3-dione,ethane-1,2-diol,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol

2-benzofuran-1,3-dione,ethane-1,2-diol,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol

C21H30O13 (490.1686)


   

Methyl 2,3-Di-O-benzoyl-4,6-O-benzylidene-α-D-glucopyranoside

Methyl 2,3-Di-O-benzoyl-4,6-O-benzylidene-α-D-glucopyranoside

C28H26O8 (490.1628)


   

2-(N-BOC)-5-(tributylstannyl)thiazole

2-(N-BOC)-5-(tributylstannyl)thiazole

C20H38N2O2SSn (490.1676)


   

methyl 2,3-di-o-benzoyl-4,6-o-benzylidene-beta-d-glucopyranoside

methyl 2,3-di-o-benzoyl-4,6-o-benzylidene-beta-d-glucopyranoside

C28H26O8 (490.1628)


   

Methyl-PEG9-bromide

Methyl-PEG9-bromide

C19H39BrO9 (490.1777)


   

N,O-BIS(4-METHOXYBENZYLOXYCARBONYL)-(S)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPIONITRILE

N,O-BIS(4-METHOXYBENZYLOXYCARBONYL)-(S)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPIONITRILE

C27H26N2O7 (490.174)


   

Bentiamine

Dibenzoyl Thiamine

C26H26N4O4S (490.1675)


   

Benzeneacetamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-(((2-hydroxy-1-(hydroxymethyl)ethyl)amino)methyl)-

Benzeneacetamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-(((2-hydroxy-1-(hydroxymethyl)ethyl)amino)methyl)-

C23H30N4O4S2 (490.1708)


   

N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C23H30N4O4S2 (490.1708)


   

CID 45783006

CID 45783006

C21H30O13 (490.1686)


   

3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide

3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide

C27H27ClN4O3 (490.1772)


   

N-benzyl-4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide

N-benzyl-4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide

C25H26N6O3S (490.1787)


   

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

[(1S)-7-methoxy-9-methyl-2-methylsulfonyl-1-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol

[(1S)-7-methoxy-9-methyl-2-methylsulfonyl-1-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol

C23H30N4O4S2 (490.1708)


   

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

C24H30N2O7S (490.1774)


   

[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C28H27FN2O3S (490.1726)


   

[(1R)-7-methoxy-9-methyl-2-methylsulfonyl-1-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol

[(1R)-7-methoxy-9-methyl-2-methylsulfonyl-1-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol

C23H30N4O4S2 (490.1708)


   

Cys-Met-Thr-His

Cys-Met-Thr-His

C18H30N6O6S2 (490.1668)


   

N-[4-[[4-(3-cyanobenzoyl)piperazin-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide

N-[4-[[4-(3-cyanobenzoyl)piperazin-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide

C26H26N4O4S (490.1675)


   

4-Bromobenzoylmethyl (9Z,12Z)-15,16-epoxyoctadecadienoate

4-Bromobenzoylmethyl (9Z,12Z)-15,16-epoxyoctadecadienoate

C26H35BrO4 (490.1719)


   

4-Bromobenzoylmethyl (12Z,15Z)-9,10-epoxyoctadecadienoate

4-Bromobenzoylmethyl (12Z,15Z)-9,10-epoxyoctadecadienoate

C26H35BrO4 (490.1719)


   

4-Bromobenzoylmethyl (9Z,15Z)-12,13-epoxyoctadecadienoate

4-Bromobenzoylmethyl (9Z,15Z)-12,13-epoxyoctadecadienoate

C26H35BrO4 (490.1719)


   

Phloroacetophenone 6-[xylosyl-(1->6)-glucoside]

Phloroacetophenone 6-[xylosyl-(1->6)-glucoside]

C21H30O13 (490.1686)


   

ST 25:7;O5;S

ST 25:7;O5;S

C25H30O8S (490.1661)


   

IDH-305

IDH-305

C23H22F4N6O2 (490.174)


IDH-305 is an orally available, mutant-selective and brain-penetrant IDH1 inhibitor that targets IDH1 (R132) mutation. IDH-305 exhibits greater than 200 fold selectivity for mutant IDH1 isoforms vs. WT (IC50= 27 nM (IDH1R132H), 28 nM (IDH1R132C), 6.14 μM (IDH1WT))[1][2].

   

PGlu-3-methyl-His-Pro-NH2 (TFA)

PGlu-3-methyl-His-Pro-NH2 (TFA)

C19H25F3N6O6 (490.1788)


PGlu-3-methyl-His-Pro-NH2 TFA (A-42872 TFA), the modified thyrotropin-releasing hormone (TRH) peptide, enhances binding to pituitary TRH receptors and increases stimulation of thyroid-stimulating hormone (TSH) release from the pituitary. The in vitro permeability of PGlu-3-methyl-His-Pro-NH2 TFA through rat skin is increased in the presence of enhancers Ethanol and Cineole[1][2].

   

7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1h,7ah-cyclopenta[c]pyran-5-one

7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1h,7ah-cyclopenta[c]pyran-5-one

C21H30O13 (490.1686)


   

(3r,4s,5s,6r)-6-{[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]methyl}-4,5-dihydroxyoxan-3-yl benzoate

(3r,4s,5s,6r)-6-{[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]methyl}-4,5-dihydroxyoxan-3-yl benzoate

C28H26O8 (490.1628)


   

(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s)-2-(4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s)-2-(4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

C21H30O13 (490.1686)


   

(3r,4s,5s,6r)-6-{[(9r)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]methyl}-4,5-dihydroxyoxan-3-yl benzoate

(3r,4s,5s,6r)-6-{[(9r)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]methyl}-4,5-dihydroxyoxan-3-yl benzoate

C28H26O8 (490.1628)


   

(1r,4as,6s,7as)-1-[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-hydroxy-7-methylidene-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

(1r,4as,6s,7as)-1-[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-hydroxy-7-methylidene-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C21H30O13 (490.1686)


   

6'-o-β-apiofuranosylsweroside

NA

C21H30O13 (490.1686)


{"Ingredient_id": "HBIN012636","Ingredient_name": "6'-o-\u03b2-apiofuranosylsweroside","Alias": "NA","Ingredient_formula": "C21H30O13","Ingredient_Smile": "C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1517","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

acetylbarlerin

NA

C21H30O13 (490.1686)


{"Ingredient_id": "HBIN014453","Ingredient_name": "acetylbarlerin","Alias": "NA","Ingredient_formula": "C21H30O13","Ingredient_Smile": "CC(=O)OC1CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)(C)OC(=O)C","Ingredient_weight": "490.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "330","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6453480","DrugBank_id": "NA"}

   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

C21H30O13 (490.1686)


   

(1s,4ar,7ar)-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one

(1s,4ar,7ar)-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one

C21H30O13 (490.1686)


   

methyl (1r,4ar,5s,7s,7ar)-5,7-bis(acetyloxy)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1r,4ar,5s,7s,7ar)-5,7-bis(acetyloxy)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

C21H30O13 (490.1686)


   

1-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-6-methoxy-3-methylphenyl)ethanone

1-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-6-methoxy-3-methylphenyl)ethanone

C21H30O13 (490.1686)


   

methyl (1s,4as,5r,7s,7as)-5,7-bis(acetyloxy)-7-methyl-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,5r,7s,7as)-5,7-bis(acetyloxy)-7-methyl-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

C21H30O13 (490.1686)


   

1-(2-hydroxy-6-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2-hydroxy-6-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

C21H30O13 (490.1686)


   

(4as,5s,6s)-6-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-ethenyl-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one

(4as,5s,6s)-6-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-ethenyl-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one

C21H30O13 (490.1686)


   

6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-ethenyl-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one

6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-ethenyl-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one

C21H30O13 (490.1686)


   

methyl (1s,4as,6s,7s,7as)-6-(acetyloxy)-7-[(acetyloxy)methyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,6s,7s,7as)-6-(acetyloxy)-7-[(acetyloxy)methyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C21H30O13 (490.1686)


   

6-(2-{4,8-dimethoxy-9h-pyrido[3,4-b]indol-1-yl}ethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

6-(2-{4,8-dimethoxy-9h-pyrido[3,4-b]indol-1-yl}ethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

C29H22N4O4 (490.1641)


   

(1s,4as,7ar)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one

(1s,4as,7ar)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one

C21H30O13 (490.1686)


   

(4as,5r,6s)-6-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-ethenyl-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one

(4as,5r,6s)-6-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-ethenyl-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one

C21H30O13 (490.1686)


   

methyl 4-{[(2s,3r,4r,5s,6r)-3-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxybenzoate

methyl 4-{[(2s,3r,4r,5s,6r)-3-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxybenzoate

C21H30O13 (490.1686)


   

methyl 6-(acetyloxy)-7-[(acetyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 6-(acetyloxy)-7-[(acetyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C21H30O13 (490.1686)


   

(1r,2r,3s,4s,9s,13s,18r,19s)-2,7,16-trihydroxy-6,15,19-trimethyl-2-[(1e,3e)-penta-1,3-dien-1-yl]hexacyclo[10.7.1.0³,¹⁸.0⁴,⁹.0⁹,¹³.0¹³,¹⁸]icosa-6,12(20),15-triene-5,8,11,14,17-pentone

(1r,2r,3s,4s,9s,13s,18r,19s)-2,7,16-trihydroxy-6,15,19-trimethyl-2-[(1e,3e)-penta-1,3-dien-1-yl]hexacyclo[10.7.1.0³,¹⁸.0⁴,⁹.0⁹,¹³.0¹³,¹⁸]icosa-6,12(20),15-triene-5,8,11,14,17-pentone

C28H26O8 (490.1628)


   

(1s,4ar,7as)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one

(1s,4ar,7as)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one

C21H30O13 (490.1686)


   

6-(2-{4,9-dimethoxypyrido[3,4-b]indol-1-yl}ethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

6-(2-{4,9-dimethoxypyrido[3,4-b]indol-1-yl}ethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

C29H22N4O4 (490.1641)


   

methyl 4-{[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxybenzoate

methyl 4-{[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxybenzoate

C21H30O13 (490.1686)


   

1-(2,4-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,4-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

C21H30O13 (490.1686)


   

1-(4-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-6-methoxy-3-methylphenyl)ethanone

1-(4-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-6-methoxy-3-methylphenyl)ethanone

C21H30O13 (490.1686)