Exact Mass: 554.2169

Exact Mass Matches: 554.2169

Found 135 metabolites which its exact mass value is equals to given mass value 554.2169, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

lappaol C

4-[[3-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

Lappaol C

4-({3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

Lappaol c is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Lappaol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol c can be found in burdock, which makes lappaol c a potential biomarker for the consumption of this food product.

Isolappaol C

(4R)-4-({3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one

C30H34O10 (554.2152)

Isolappaol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isolappaol c can be found in burdock, which makes isolappaol c a potential biomarker for the consumption of this food product.

Arctignan A

(3R,4R)-3-[[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

Arctignan a is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Arctignan a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctignan a can be found in burdock, which makes arctignan a a potential biomarker for the consumption of this food product.

Lappaol E

4-[(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

Lappaol e is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Lappaol e is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol e can be found in burdock, which makes lappaol e a potential biomarker for the consumption of this food product.

(3aS,3bR,3cR,4aS,5R,5aR,8aS,8bS,9S,10S,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(1-oxopropoxy)-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one|yuanhuaoate A

(3aS,3bR,3cR,4aS,5R,5aR,8aS,8bS,9S,10S,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(1-oxopropoxy)-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one|yuanhuaoate A

C30H34O10 (554.2152)

Arctignan A

C30H34O10 (554.2152)

C31H30N4O6

C31H30N4O6 (554.2165)

C30H34O10

C30H34O10 (554.2152)

Selaginpulvilin N

C37H30O5 (554.2093)

Asp Phe His His

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

C25H30N8O7 (554.2237)

Asp His Phe His

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

C25H30N8O7 (554.2237)

Asp His His Phe

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

C25H30N8O7 (554.2237)

Phe Asp His His

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

C25H30N8O7 (554.2237)

Phe His Asp His

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

C25H30N8O7 (554.2237)

Phe His His Asp

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

C25H30N8O7 (554.2237)

His Asp Phe His

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

C25H30N8O7 (554.2237)

His Asp His Phe

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

C25H30N8O7 (554.2237)

His Phe Asp His

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

C25H30N8O7 (554.2237)

His Phe His Asp

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

C25H30N8O7 (554.2237)

His His Asp Phe

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

C25H30N8O7 (554.2237)

His His Phe Asp

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

C25H30N8O7 (554.2237)

His His Met Met

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

C22H34N8O5S2 (554.2093)

His Met His Met

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

C22H34N8O5S2 (554.2093)

His Met Met His

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

C22H34N8O5S2 (554.2093)

Met His His Met

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

C22H34N8O5S2 (554.2093)

Met His Met His

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

C22H34N8O5S2 (554.2093)

Met Met His His

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

C22H34N8O5S2 (554.2093)

Met Asn Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H34N6O8S (554.2159)

Met Asn Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C23H34N6O8S (554.2159)

Met Gln Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H34N6O8S (554.2159)

Met Gln Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C23H34N6O8S (554.2159)

Met Tyr Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C23H34N6O8S (554.2159)

Met Tyr Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C23H34N6O8S (554.2159)

Asn Met Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H34N6O8S (554.2159)

Asn Met Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C23H34N6O8S (554.2159)

Asn Gln Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H34N6O8S (554.2159)

Asn Gln Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C23H34N6O8S (554.2159)

Asn Tyr Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C23H34N6O8S (554.2159)

Asn Tyr Gln Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C23H34N6O8S (554.2159)

Gln Met Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H34N6O8S (554.2159)

Gln Met Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C23H34N6O8S (554.2159)

Gln Asn Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H34N6O8S (554.2159)

Gln Asn Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C23H34N6O8S (554.2159)

Gln Tyr Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C23H34N6O8S (554.2159)

Gln Tyr Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C23H34N6O8S (554.2159)

Tyr Met Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C23H34N6O8S (554.2159)

Tyr Met Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C23H34N6O8S (554.2159)

Tyr Asn Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C23H34N6O8S (554.2159)

Tyr Asn Gln Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C23H34N6O8S (554.2159)

Tyr Gln Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C23H34N6O8S (554.2159)

Tyr Gln Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C23H34N6O8S (554.2159)

5-O-(4,4-dimethoxytrityl)-2-deoxyinosine

C31H30N4O6 (554.2165)

DMT-dI (5'-O-DMT-dI) is a deoxyuridine which can be used in the preparation of convertible nucleoside derivatives[1].

4-METHYLPHENYL2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-SS-D-GLUCOPYRANOSIDE

C34H34O5S (554.2127)

5,5-Di-n-octyl-2,2:5,2:5,2-quaterthiophene

C32H42S4 (554.2169)

3V[E,M]-bacteriochlorophyllide d

C33H30MgN4O3-2 (554.2168)

Parthenolide-glutathione

C25H36N3O9S- (554.2172)

(4R)-4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one

C30H34O10 (554.2152)

antimycin A9

C29H34N2O9 (554.2264)

A benzamide obtained by formal condensation of the carboxy group of 3-formamido-2-hydroxybenzoic acid with the amino group of 3-amino-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl phenylacetate. It is a microbial metabolite isolated from Streptomyces.

[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

C33H34N2O4S (554.2239)

1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

C28H34N4O6S (554.2199)

RS 39604 cation

C26H37ClN3O6S+ (554.2091)

ST 27:5;O7;S

C27H38O10S (554.2186)

9,16,21,22-tetrahydroxy-5,9-bis(hydroxymethyl)-13,20,25-trimethyl-3,23-dioxanonacyclo[14.10.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁷.0²²,²⁶]heptacosa-1(27),5,25-triene-4,24-dione

9,16,21,22-tetrahydroxy-5,9-bis(hydroxymethyl)-13,20,25-trimethyl-3,23-dioxanonacyclo[14.10.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁷.0²²,²⁶]heptacosa-1(27),5,25-triene-4,24-dione

C30H34O10 (554.2152)

({[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl](methyl)amino}oxy)methyl acetate

({[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl](methyl)amino}oxy)methyl acetate

C31H30N4O6 (554.2165)

13-{15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene

13-{15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene

C36H30N2O4 (554.2205)

4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

C30H34O10 (554.2152)

(3r,4r)-3-[(4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

n-{7-butyl-4,9-dimethyl-2,6-dioxo-8-[(2-phenylacetyl)oxy]-1,5-dioxonan-3-yl}-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

C29H34N2O9 (554.2264)

(3r,4r)-4-[(4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

arctignan a

C30H34O10 (554.2152)

{"Ingredient_id": "HBIN016613","Ingredient_name": "arctignan a","Alias": "NA","Ingredient_formula": "C30H34O10","Ingredient_Smile": "COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O","Ingredient_weight": "554.59","OB_score": "NA","CAS_id": "155661-08-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6705","PubChem_id": "73425485","DrugBank_id": "NA"}

(1r,2s,5s,8s,9r,10s,17r,18s,21s,24r,26s)-5-hydroxy-2,9,26-trimethyl-4,22,29-trioxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,14-dien-10-yl acetate

(1r,2s,5s,8s,9r,10s,17r,18s,21s,24r,26s)-5-hydroxy-2,9,26-trimethyl-4,22,29-trioxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,14-dien-10-yl acetate

C30H34O10 (554.2152)

(3s,4r,5s)-5-(4-hydroxy-3-methoxyphenyl)-3-{[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-4-(hydroxymethyl)oxolan-3-ol

C30H34O10 (554.2152)

methyl 2-[(1s,3r,4s,7r,8s,9s,11s,14s,17r,26s)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16(20),22-dien-17-yl]acetate

methyl 2-[(1s,3r,4s,7r,8s,9s,11s,14s,17r,26s)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16(20),22-dien-17-yl]acetate

C30H34O10 (554.2152)

(3r,4r)-4-({3-[(1s,2r)-1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

methyl 6-(furan-3-yl)-9,17-dihydroxy-1,7,11,15-tetramethyl-14,18-dioxo-8-(propanoyloxy)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-15-carboxylate

C30H34O10 (554.2152)

[({16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl}(methyl)amino)oxy]methyl acetate

[({16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl}(methyl)amino)oxy]methyl acetate

C31H30N4O6 (554.2165)

(2r,8r,9s,10s,12r,13s,14s,16s,17s,19r,20s,21r,22s)-9,16,21,22-tetrahydroxy-5,9-bis(hydroxymethyl)-13,20,25-trimethyl-3,23-dioxanonacyclo[14.10.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁷.0²²,²⁶]heptacosa-1(27),5,25-triene-4,24-dione

(2r,8r,9s,10s,12r,13s,14s,16s,17s,19r,20s,21r,22s)-9,16,21,22-tetrahydroxy-5,9-bis(hydroxymethyl)-13,20,25-trimethyl-3,23-dioxanonacyclo[14.10.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁷.0²²,²⁶]heptacosa-1(27),5,25-triene-4,24-dione

C30H34O10 (554.2152)

methyl (1s,2r,4r,6s,7r,8r,9s,10s,11s,15s)-6-(furan-2-yl)-9,17-dihydroxy-1,7,11,15-tetramethyl-14,18-dioxo-8-(propanoyloxy)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-15-carboxylate

methyl (1s,2r,4r,6s,7r,8r,9s,10s,11s,15s)-6-(furan-2-yl)-9,17-dihydroxy-1,7,11,15-tetramethyl-14,18-dioxo-8-(propanoyloxy)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-15-carboxylate

C30H34O10 (554.2152)

(3s,4r,5r)-5-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol

C30H34O10 (554.2152)

(1s,2s,6r,7r,8s,10r,11r,12s,14r,16r,17s,18s)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl propanoate

(1s,2s,6r,7r,8s,10r,11r,12s,14r,16r,17s,18s)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl propanoate

C30H34O10 (554.2152)

n-[(3s,4r,7r,8r,9s)-7-benzyl-4,9-dimethyl-8-[(2-methylbutanoyl)oxy]-2,6-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

C29H34N2O9 (554.2264)

(3r,4r)-4-({3-[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

(1r,2s,5s,8s,9r,10s,17r,18r,21s,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-4,22,29-trioxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,14-dien-10-yl acetate

(1r,2s,5s,8s,9r,10s,17r,18r,21s,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-4,22,29-trioxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,14-dien-10-yl acetate

C30H34O10 (554.2152)

(2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

C30H34O10 (554.2152)

3-({3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

(3r,4r,5s)-5-(4-hydroxy-3-methoxyphenyl)-3-{[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-4-(hydroxymethyl)oxolan-3-ol

C30H34O10 (554.2152)

3-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C30H34O10 (554.2152)

3-{4-[(1r,2r)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-methoxyethoxy]-3-methoxyphenyl}propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C30H34O10 (554.2152)

methyl 6-(furan-2-yl)-9,17-dihydroxy-1,7,11,15-tetramethyl-14,18-dioxo-8-(propanoyloxy)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-15-carboxylate

C30H34O10 (554.2152)

n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

C29H34N2O9 (554.2264)

[(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid

C20H30N10O9 (554.2197)

3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C30H34O10 (554.2152)

(3r,4r)-4-({3-[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

(3r,4s)-4-({3-[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

methyl (1r,2r,4r,6s,7r,8r,9r,10r,11r,15r)-6-(furan-3-yl)-9,17-dihydroxy-1,7,11,15-tetramethyl-14,18-dioxo-8-(propanoyloxy)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-15-carboxylate

methyl (1r,2r,4r,6s,7r,8r,9r,10r,11r,15r)-6-(furan-3-yl)-9,17-dihydroxy-1,7,11,15-tetramethyl-14,18-dioxo-8-(propanoyloxy)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-15-carboxylate

C30H34O10 (554.2152)

5-hydroxy-2,9,26-trimethyl-4,22,29-trioxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,14-dien-10-yl acetate

C30H34O10 (554.2152)

methyl 2-{4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16(20),22-dien-17-yl}acetate

C30H34O10 (554.2152)

6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl propanoate

C30H34O10 (554.2152)

4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

13-{15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene

13-{15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene

C36H30N2O4 (554.2205)

(3r,4r)-3-({3-[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl}methyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C30H34O10 (554.2152)

5-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol

C30H34O10 (554.2152)

5-(4-hydroxy-3-methoxyphenyl)-3-{[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-4-(hydroxymethyl)oxolan-3-ol

C30H34O10 (554.2152)