Exact Mass: 468.16315380000003

Exact Mass Matches: 468.16315380000003

Found 182 metabolites which its exact mass value is equals to given mass value 468.16315380000003, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide

2-[(5-Chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}-3,4-dihydropyrimidin-4-ylidene)amino]-N-methylbenzene-1-carboximidate

C23H25ClN6O3 (468.16765699999996)


   

Prim-O-glucosylcimifugin

2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,5H-furo[3,2-g]chromen-5-one

C22H28O11 (468.16315380000003)


   

Cimifugin 4-O-β-D-glucopyranoside

Cimifugin 4'-O-β-D-glucopyranoside

C22H28O11 (468.16315380000003)


   

Cimifugin 7-glucoside

(S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-2H-furo[3,2-g]chromen-5(3H)-one

C22H28O11 (468.16315380000003)


PRIM-O-GLUCOSYLCIMIFUGIN is an organic heterotricyclic compound and an oxacycle. Prim-O-glucosylcimifugin is a natural product found in Ostericum grosseserratum, Saposhnikovia divaricata, and other organisms with data available. Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling. Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling.

   

dichamanetin

[ S, (-) ] -2,3-Dihydro-5,7-dihydroxy-6,8-bis [ (2-hydroxyphenyl) methyl ] -2-phenyl-4H-1-benzopyran-4-one

C29H24O6 (468.1572804)


A natural product found in Piper sarmentosum.

   

6-O-(4-Hydroxybenzoyl)-ajugol

6-O-(4-Hydroxybenzoyl)-ajugol

C22H28O11 (468.16315380000003)


   

Marchantin N

Marchantin N

C29H24O6 (468.1572804)


   

Bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methane

Bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methane

C29H24O6 (468.1572804)


   

Maybridge1_000617

Maybridge1_000617

C25H25FN2O6 (468.16965619999996)


   

Cimifugin beta-D-glucopyranoside

Cimifugin beta-D-glucopyranoside

C22H28O11 (468.16315380000003)


   

Chaetoviridin D

Chaetoviridin D

C23H29ClO8 (468.1550864)


   

NSC-334386

NSC-334386

C24H24N2O8 (468.15325839999997)


   

C22H28O11

C22H28O11 (468.16315380000003)


   

SCHEMBL2444030

SCHEMBL2444030

C29H24O6 (468.1572804)


   

Plumieride

Plumieride

C22H28O11 (468.16315380000003)


   

threo-1-(4-hydroxy-2-methoxyphenyl)-2-(2,4-dihydroxy-phenyl)-1,3-propanediol-4-O-?-D-glucopyranoside

threo-1-(4-hydroxy-2-methoxyphenyl)-2-(2,4-dihydroxy-phenyl)-1,3-propanediol-4-O-?-D-glucopyranoside

C22H28O11 (468.16315380000003)


   

1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propandiol 4-O-beta-D-glucopyranoside|1-(4-O-beta-glucosyl-2-hydroxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)-1,3-propanediol|myriophylloside G|threo-1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propandiol 4-O-beta-D-glucopyranoside|threo-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol

1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propandiol 4-O-beta-D-glucopyranoside|1-(4-O-beta-glucosyl-2-hydroxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)-1,3-propanediol|myriophylloside G|threo-1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propandiol 4-O-beta-D-glucopyranoside|threo-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol

C22H28O11 (468.16315380000003)


   

6-hydroxymetatacarboline E

6-hydroxymetatacarboline E

C23H24N4O7 (468.1644914)


   

metatacarboline C

metatacarboline C

C23H24N4O7 (468.1644914)


   

6-O-(6?-O-phydroxybenzoyl)-beta-D-glucopyranosyl-des-p-hydroxybenzoyl-3-deoxycatalpin

6-O-(6?-O-phydroxybenzoyl)-beta-D-glucopyranosyl-des-p-hydroxybenzoyl-3-deoxycatalpin

C22H28O11 (468.16315380000003)


   

Prim-O-glucosylcimifugin

prim-O-b-D-Glucosylcimifugin

C22H28O11 (468.16315380000003)


Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling. Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling.

   

Ala Cys Glu Phe

(4S)-4-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Ala Cys Phe Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]pentanedioic acid

C20H28N4O7S (468.1678618)


   

Ala Glu Cys Phe

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Ala Glu Phe Cys

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Ala Phe Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C20H28N4O7S (468.1678618)


   

Ala Phe Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Cys Ala Glu Phe

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Cys Ala Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-phenylpropanamido]pentanedioic acid

C20H28N4O7S (468.1678618)


   

Cys Cys Ile Met

(2S)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Cys Leu Met

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Cys Met Ile

(2S,3S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Cys Met Leu

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Glu Ala Phe

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Cys Glu Phe Ala

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

C20H28N4O7S (468.1678618)


   

Cys Phe Ala Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]propanamido]pentanedioic acid

C20H28N4O7S (468.1678618)


   

Cys Phe Glu Ala

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

C20H28N4O7S (468.1678618)


   

Cys Ile Cys Met

(2S)-2-[(2R)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Ile Met Cys

(2R)-2-[(2S)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Leu Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Leu Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Met Cys Ile

(2S,3S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Met Cys Leu

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Met Ile Cys

(2R)-2-[(2S,3S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Met Leu Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Cys Pro Ser Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H28N4O7S (468.1678618)


   

Cys Pro Tyr Ser

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C20H28N4O7S (468.1678618)


   

Cys Ser Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C20H28N4O7S (468.1678618)


   

Cys Ser Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C20H28N4O7S (468.1678618)


   

Cys Tyr Pro Ser

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

C20H28N4O7S (468.1678618)


   

Cys Tyr Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C20H28N4O7S (468.1678618)


   

Asp Phe Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C20H28N4O7S (468.1678618)


   

Asp Phe Met Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Asp Gly Phe Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H28N4O7S (468.1678618)


   

Asp Gly Met Phe

(3S)-3-amino-3-[({[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]propanoic acid

C20H28N4O7S (468.1678618)


   

Asp Met Phe Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Asp Met Gly Phe

(3S)-3-amino-3-{[(1S)-1-[({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}methyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Glu Ala Cys Phe

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Glu Ala Phe Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Glu Cys Ala Phe

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Glu Cys Phe Ala

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

C20H28N4O7S (468.1678618)


   

Glu Phe Ala Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Glu Phe Cys Ala

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

C20H28N4O7S (468.1678618)


   

Phe Ala Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-sulfanylpropanamido]pentanedioic acid

C20H28N4O7S (468.1678618)


   

Phe Ala Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Phe Cys Ala Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]propanamido]pentanedioic acid

C20H28N4O7S (468.1678618)


   

Phe Cys Glu Ala

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

C20H28N4O7S (468.1678618)


   

Phe Asp Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C20H28N4O7S (468.1678618)


   

Phe Asp Met Gly

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Phe Glu Ala Cys

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C20H28N4O7S (468.1678618)


   

Phe Glu Cys Ala

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

C20H28N4O7S (468.1678618)


   

Phe Gly Asp Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C20H28N4O7S (468.1678618)


   

Phe Gly Met Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]butanedioic acid

C20H28N4O7S (468.1678618)


   

Phe Met Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C20H28N4O7S (468.1678618)


   

Phe Met Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}butanedioic acid

C20H28N4O7S (468.1678618)


   

Gly Asp Phe Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H28N4O7S (468.1678618)


   

Gly Asp Met Phe

(3S)-3-(2-aminoacetamido)-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Gly Phe Asp Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C20H28N4O7S (468.1678618)


   

Gly Phe Met Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C20H28N4O7S (468.1678618)


   

Gly Met Asp Phe

(3S)-3-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Gly Met Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]butanedioic acid

C20H28N4O7S (468.1678618)


   

Gly Met Met Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Ile Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Ile Cys Met Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Ile Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Leu Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Leu Cys Met Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Leu Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Cys Cys Ile

(2S,3S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Cys Cys Leu

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Cys Ile Cys

(2R)-2-[(2S,3S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-methylpentanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Cys Leu Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-methylpentanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Asp Phe Gly

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Met Asp Gly Phe

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-[({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C20H28N4O7S (468.1678618)


   

Met Phe Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C20H28N4O7S (468.1678618)


   

Met Phe Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]acetamido}butanedioic acid

C20H28N4O7S (468.1678618)


   

Met Gly Asp Phe

(3S)-3-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C20H28N4O7S (468.1678618)


   

Met Gly Phe Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-phenylpropanamido]butanedioic acid

C20H28N4O7S (468.1678618)


   

Met Gly Met Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Ile Cys Cys

(2R)-2-[(2R)-2-[(2S,3S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Leu Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Met Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Met Met Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]acetic acid

C17H32N4O5S3 (468.15347420000006)


   

Met Met Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C17H32N4O7S2 (468.1712322)


   

Met Met Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C17H32N4O7S2 (468.1712322)


   

Met Ser Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C17H32N4O7S2 (468.1712322)


   

Met Ser Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O7S2 (468.1712322)


   

Met Thr Met Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C17H32N4O7S2 (468.1712322)


   

Met Thr Ser Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O7S2 (468.1712322)


   

Pro Cys Ser Tyr

(2S)-2-[(2S)-3-hydroxy-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H28N4O7S (468.1678618)


   

Pro Cys Tyr Ser

(2S)-3-hydroxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]propanoic acid

C20H28N4O7S (468.1678618)


   

Pro Ser Cys Tyr

(2S)-2-[(2R)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H28N4O7S (468.1678618)


   

Pro Ser Tyr Cys

(2R)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C20H28N4O7S (468.1678618)


   

Pro Tyr Cys Ser

(2S)-3-hydroxy-2-[(2R)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]propanoic acid

C20H28N4O7S (468.1678618)


   

Pro Tyr Ser Cys

(2R)-2-[(2S)-3-hydroxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-sulfanylpropanoic acid

C20H28N4O7S (468.1678618)


   

Ser Cys Pro Tyr

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C20H28N4O7S (468.1678618)


   

Ser Cys Tyr Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C20H28N4O7S (468.1678618)


   

Ser Met Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C17H32N4O7S2 (468.1712322)


   

Ser Met Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O7S2 (468.1712322)


   

Ser Pro Cys Tyr

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H28N4O7S (468.1678618)


   

Ser Pro Tyr Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C20H28N4O7S (468.1678618)


   

Ser Thr Met Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O7S2 (468.1712322)


   

Ser Tyr Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C20H28N4O7S (468.1678618)


   

Ser Tyr Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C20H28N4O7S (468.1678618)


   

Thr Met Met Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C17H32N4O7S2 (468.1712322)


   

Thr Met Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O7S2 (468.1712322)


   

Thr Ser Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C17H32N4O7S2 (468.1712322)


   

Tyr Cys Pro Ser

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

C20H28N4O7S (468.1678618)


   

Tyr Cys Ser Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C20H28N4O7S (468.1678618)


   

Tyr Pro Cys Ser

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C20H28N4O7S (468.1678618)


   

Tyr Pro Ser Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C20H28N4O7S (468.1678618)


   

Tyr Ser Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C20H28N4O7S (468.1678618)


   

Tyr Ser Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C20H28N4O7S (468.1678618)


   

(2R,6R,7R)-Benzhydryl 7-benzamido-3-methylene-8-oxo-5-oxa-1-azabicyclo[4.2.0]octane-2-carboxylate

(2R,6R,7R)-Benzhydryl 7-benzamido-3-methylene-8-oxo-5-oxa-1-azabicyclo[4.2.0]octane-2-carboxylate

C28H24N2O5 (468.1685134)


   

(S)-2-Diphenylphosphino-2-methoxyl-1,1-binaphthyl

(S)-2-Diphenylphosphino-2-methoxyl-1,1-binaphthyl

C33H25OP (468.164293)


   

H-Met-Gly-Met-Met-OH

H-Met-Gly-Met-Met-OH

C17H32N4O5S3 (468.15347420000006)


   

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine

C23H24N4O7 (468.1644914)


   

21-chloro-16α-methyl-17α-hydroxy-1,4,9(11)-pregnatriene-3,20-dione 17-(2-furoate)

21-chloro-16α-methyl-17α-hydroxy-1,4,9(11)-pregnatriene-3,20-dione 17-(2-furoate)

C27H29ClO5 (468.17034140000004)


   

(r)-mop

(r)-mop

C33H25OP (468.164293)


   

(S)-2-Diphenyphosphino-2-methoxyl-1,1-binaphthyl

(S)-2-Diphenyphosphino-2-methoxyl-1,1-binaphthyl

C33H25OP (468.164293)


   

TERT-BUTYL2-(4-(PYRIDIN-2-YL)BENZYL)HYDRAZINECARBOXYLATE

TERT-BUTYL2-(4-(PYRIDIN-2-YL)BENZYL)HYDRAZINECARBOXYLATE

C29H24O6 (468.1572804)


   

(1R)-1-C-(4-Chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-D-glucitol

(1R)-1-C-(4-Chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-D-glucitol

C23H29ClO8 (468.1550864)


   

Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-alpha-D-xylo-hexopyranoside

Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-alpha-D-xylo-hexopyranoside

C23H29ClO8 (468.1550864)


   

6-methoxy-3,3-diphenylbenzo[h]indeno[2,1-f]chromen-13(3H)-one

6-methoxy-3,3-diphenylbenzo[h]indeno[2,1-f]chromen-13(3H)-one

C33H24O3 (468.1725354)


   

n-Nonyl triphenylphosphonium bromide

n-Nonyl triphenylphosphonium bromide

C27H34BrP (468.15813540000005)


   

Evatanepag

Evatanepag

C25H28N2O5S (468.17188380000005)


C78568 - Prostaglandin Analogue

   

(r)-(+)-2-diphenylphosphino-2-methoxy-1,1-binaphthyl

(r)-(+)-2-diphenylphosphino-2-methoxy-1,1-binaphthyl

C33H25OP (468.164293)


   

5,5-Methylenebis(2-hydroxy-4-methoxybenzophenone)

5,5-Methylenebis(2-hydroxy-4-methoxybenzophenone)

C29H24O6 (468.1572804)


   

1-[3-(3,5-Dinitrobenzoylamino)butyl]-2-methyl-1H-indole-3-carboxylic acid ethyl ester

1-[3-(3,5-Dinitrobenzoylamino)butyl]-2-methyl-1H-indole-3-carboxylic acid ethyl ester

C23H24N4O7 (468.1644914)


   

2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H28N2O5S (468.17188380000005)


   

[4-(2,3-Dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone

[4-(2,3-Dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone

C25H28N2O5S (468.17188380000005)


   

2-amino-N-(3-ethoxypropyl)-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide

2-amino-N-(3-ethoxypropyl)-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide

C22H24N6O4S (468.1579664)


   

diethyl 5-[[2-(furan-2-carbonylamino)benzoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

diethyl 5-[[2-(furan-2-carbonylamino)benzoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

C24H24N2O8 (468.15325839999997)


   

N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[(4-fluoro-phenyl)-(2-thiophen-3-yl-acetyl)-amino]-acetamide

N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[(4-fluoro-phenyl)-(2-thiophen-3-yl-acetyl)-amino]-acetamide

C26H26F2N2O2S (468.168296)


   

2-(4-Hydroxyphenyl)ethyl 2,3,4,6-tetra-O-acetyl-alpha-(D)-glucopyranoside

2-(4-Hydroxyphenyl)ethyl 2,3,4,6-tetra-O-acetyl-alpha-(D)-glucopyranoside

C22H28O11 (468.16315380000003)


   

TAE226(NVP-TAE226)

2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide

C23H25ClN6O3 (468.16765699999996)


   

Chaetoviridin D, (rel)-

Chaetoviridin D, (rel)-

C23H29ClO8 (468.1550864)


A natural product found in Chaetomium globosum.

   

SQMG 10:2

SQMG 10:2

C19H32O11S (468.1665242)


   

ST 19:0;O8;S

ST 19:0;O8;S

C19H32O11S (468.1665242)


   

SRT 2183

SRT 2183

C27H24N4O2S (468.1619884)


SRT 2183 is a selective Sirtuin-1 (SIRT1) activator with an EC1.5 value of 0.36 μM[1]. SRT 2183 induces growth arrest and apoptosis, concomitant with deacetylation of STAT3 and NF-κB, and reduction of c-Myc protein levels[2].

   

4-hydroxy-19-methoxy-2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3(30),4,6,10,12,14(29),16(21),18,24,27-undecaene-17,20-dione

4-hydroxy-19-methoxy-2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3(30),4,6,10,12,14(29),16(21),18,24,27-undecaene-17,20-dione

C29H24O6 (468.1572804)


   

(1s,4ar,5r,7s,7as)-7-hydroxy-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-5-yl 4-hydroxybenzoate

(1s,4ar,5r,7s,7as)-7-hydroxy-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-5-yl 4-hydroxybenzoate

C22H28O11 (468.16315380000003)


   

6-o-(4-hydroxybenzoyl)-ajugol

NA

C22H28O11 (468.16315380000003)


{"Ingredient_id": "HBIN012584","Ingredient_name": "6-o-(4-hydroxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C22H28O11","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9818","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-O-p-hydroxybenzoylajugol

AC1O3DGA; 6-o-p-hydroxybenzoyl ajugol; [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate; 6-O-p-Hydroxybenzoyl ajugol

C22H28O11 (468.16315380000003)


{"Ingredient_id": "HBIN012711","Ingredient_name": "6-O-p-hydroxybenzoylajugol","Alias": "AC1O3DGA; 6-o-p-hydroxybenzoyl ajugol; [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate; 6-O-p-Hydroxybenzoyl ajugol","Ingredient_formula": "C22H28O11","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC=C(C=C4)O)O","Ingredient_weight": "468.4 g/mol","OB_score": "4.531761025","CAS_id": "NA","SymMap_id": "SMIT05758;SMIT06073;SMIT19243","TCMID_id": "31156","TCMSP_id": "MOL003728;MOL004098","TCM_ID_id": "NA","PubChem_id": "14396661","DrugBank_id": "NA"}

   

1-(3-{3-[(1-carboxyethyl)carbamoyl]-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

1-(3-{3-[(1-carboxyethyl)carbamoyl]-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

C23H24N4O7 (468.1644914)


   

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

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

C22H28O11 (468.16315380000003)


   

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

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

C22H28O11 (468.16315380000003)


   

5-chloro-8-hydroxy-3-(4-hydroxy-3-methylpent-1-en-1-yl)-8-(3-hydroxybutan-2-yl)-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

5-chloro-8-hydroxy-3-(4-hydroxy-3-methylpent-1-en-1-yl)-8-(3-hydroxybutan-2-yl)-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

C23H29ClO8 (468.1550864)


   

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

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

C22H28O11 (468.16315380000003)


   

methyl 4-(1-hydroxyethyl)-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3'a,6',7',7'a-tetrahydrospiro[furan-2,1'-indene]-4'-carboxylate

methyl 4-(1-hydroxyethyl)-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3'a,6',7',7'a-tetrahydrospiro[furan-2,1'-indene]-4'-carboxylate

C22H28O11 (468.16315380000003)


   

2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one

2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one

C22H28O11 (468.16315380000003)


   

(2s)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one

(2s)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one

C22H28O11 (468.16315380000003)


   

(2s)-1-[3-(3-{[(1s)-1-carboxyethyl]carbamoyl}-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2s)-1-[3-(3-{[(1s)-1-carboxyethyl]carbamoyl}-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

C23H24N4O7 (468.1644914)


   

(6ar,8r,9s,9ar)-5-chloro-8-hydroxy-3-[(1e,3s,4s)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

(6ar,8r,9s,9ar)-5-chloro-8-hydroxy-3-[(1e,3s,4s)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

C23H29ClO8 (468.1550864)


   

(6as,8r,9s,9as)-5-chloro-8-hydroxy-3-[(3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

(6as,8r,9s,9as)-5-chloro-8-hydroxy-3-[(3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

C23H29ClO8 (468.1550864)


   

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

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

C22H28O11 (468.16315380000003)


   

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

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

C22H28O11 (468.16315380000003)


   

5,13-dihydroxy-3-methoxy-15-oxapentacyclo[20.2.2.2¹⁶,¹⁹.1¹⁰,¹⁴.0²,⁷]nonacosa-1(24),2(7),3,5,10,12,14(29),16,18,22(26),27-undecaene-23,25-dione

5,13-dihydroxy-3-methoxy-15-oxapentacyclo[20.2.2.2¹⁶,¹⁹.1¹⁰,¹⁴.0²,⁷]nonacosa-1(24),2(7),3,5,10,12,14(29),16,18,22(26),27-undecaene-23,25-dione

C29H24O6 (468.1572804)


   

1-(3-{3-[(1-carboxy-2-hydroxyethyl)carbamoyl]-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

1-(3-{3-[(1-carboxy-2-hydroxyethyl)carbamoyl]-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

C23H24N4O7 (468.1644914)


   

(2s)-1-[3-(3-{[(1s)-1-carboxy-2-hydroxyethyl]carbamoyl}-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2s)-1-[3-(3-{[(1s)-1-carboxy-2-hydroxyethyl]carbamoyl}-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

C23H24N4O7 (468.1644914)


   

methyl (2r,3'as,7'r,7'ar)-4-[(1s)-1-hydroxyethyl]-5-oxo-7'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3'a,6',7',7'a-tetrahydrospiro[furan-2,1'-indene]-4'-carboxylate

methyl (2r,3'as,7'r,7'ar)-4-[(1s)-1-hydroxyethyl]-5-oxo-7'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3'a,6',7',7'a-tetrahydrospiro[furan-2,1'-indene]-4'-carboxylate

C22H28O11 (468.16315380000003)


   

(6as,8r,9s,9as)-5-chloro-8-hydroxy-3-[(1e,3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

(6as,8r,9s,9as)-5-chloro-8-hydroxy-3-[(1e,3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid

C23H29ClO8 (468.1550864)