Exact Mass: 578.2522558000001

Exact Mass Matches: 578.2522558000001

Found 173 metabolites which its exact mass value is equals to given mass value 578.2522558000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Pheophorbin a5, dipotassium salt

3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-

C34H34N4O5 (578.2529074)


   

Withaperuvin H

6-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,9,15,21-tetrahydroxy-1,5-dimethyl-16-oxa-13-thiapentacyclo[10.8.1.0²,¹⁰.0⁵,⁹.0¹⁷,²¹]henicos-18-en-20-one

C30H42O9S (578.2549402000001)


Withaperuvin H is found in fruits. Withaperuvin H is a constituent of Physalis peruviana (Cape gooseberry). Constituent of Physalis peruviana (Cape gooseberry). Withaperuvin H is found in fruits.

   

Netupitant

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

C30H32F6N4O (578.2480174)


C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].

   

Shizukaol D

Shizukaol D

C33H38O9 (578.2515698)


A natural product found in Chloranthus japonicus.

   

8,8a-Dihydro-8-hydroxymorellic acid

(-)-8,8a-Dihydro-8-hydroxymorellic acid

C33H38O9 (578.2515698)


   

1)-O-beta-D-ructofuranoside

Elymoclavine-O-beta-fructofuranosyl-(2-

C28H38N2O11 (578.2475478)


   
   

gaudichaudiic acid A

gaudichaudiic acid A

C33H38O9 (578.2515698)


   

Gaudichaudiic acid B

Gaudichaudiic acid B

C33H38O9 (578.2515698)


   

Isogaudichaudiic acid B

Isogaudichaudiic acid B

C33H38O9 (578.2515698)


   
   

(-)-isogaudichaudiic acid B|isogaudichaudiic acid B

(-)-isogaudichaudiic acid B|isogaudichaudiic acid B

C33H38O9 (578.2515698)


   

(3alpha,11beta)-Cholest-5-ene-3,11,21-triol-3,21-Disulfate,

(3alpha,11beta)-Cholest-5-ene-3,11,21-triol-3,21-Disulfate,

C27H46O9S2 (578.2583106000001)


   

8,9-Dibenzoyloxy-1,6-diacetyloxydihydroagarofuran

8,9-Dibenzoyloxy-1,6-diacetyloxydihydroagarofuran

C33H38O9 (578.2515698)


   

6,9-Dibenzoyloxy-1,2-diacetyloxydihydroagarofuran

6,9-Dibenzoyloxy-1,2-diacetyloxydihydroagarofuran

C33H38O9 (578.2515698)


   

3,21-Cholest-5-ene-2,3,21-triol-Disulfate-

3,21-Cholest-5-ene-2,3,21-triol-Disulfate-

C27H46O9S2 (578.2583106000001)


   

1S-acetyloxy-4S,6R-dihydroxy-9S-benzoyloxy-13-cinnamoyloxy-beta-dihydroagarofuran

1S-acetyloxy-4S,6R-dihydroxy-9S-benzoyloxy-13-cinnamoyloxy-beta-dihydroagarofuran

C33H38O9 (578.2515698)


   

1alpha,6beta-diacetoxy-9beta,15-dibenzoyloxy-beta-dihydroagarofuran|fokienagarofuran B

1alpha,6beta-diacetoxy-9beta,15-dibenzoyloxy-beta-dihydroagarofuran|fokienagarofuran B

C33H38O9 (578.2515698)


   

(2beta,3alpha)-2,21-Disulfate,Cholest-5-ene-2,3,21-triol

(2beta,3alpha)-2,21-Disulfate,Cholest-5-ene-2,3,21-triol

C27H46O9S2 (578.2583106000001)


   

(1R,2S,3S,4S,5R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-beta-agarofuran

(1R,2S,3S,4S,5R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-beta-agarofuran

C33H38O9 (578.2515698)


   

mappiodine A 10-O-beta-D-glucoside|mappiodoside A

mappiodine A 10-O-beta-D-glucoside|mappiodoside A

C28H38N2O11 (578.2475478)


   

(1S,4S,5S,6R,7S,8S,9R,10S)-1-acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-beta-agarofuran

(1S,4S,5S,6R,7S,8S,9R,10S)-1-acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-beta-agarofuran

C33H38O9 (578.2515698)


   

Disulfate-4,9-Epoxycholestane-3,21-diol

Disulfate-4,9-Epoxycholestane-3,21-diol

C27H46O9S2 (578.2583106000001)


   

(-)-11,12-dihydro-12-hydroxymorellic acid|(5R,7S,10aS,27S)-11,12-dihydro-12-hydroxymorellic acid|11,12-dihydro-12-hydroxymorellic acid

(-)-11,12-dihydro-12-hydroxymorellic acid|(5R,7S,10aS,27S)-11,12-dihydro-12-hydroxymorellic acid|11,12-dihydro-12-hydroxymorellic acid

C33H38O9 (578.2515698)


   
   

(1beta,3alpha)-3,21-Disulfate,Cholest-5-ene-1,3,21-triol

(1beta,3alpha)-3,21-Disulfate,Cholest-5-ene-1,3,21-triol

C27H46O9S2 (578.2583106000001)


   

(3alpha,4beta)-Cholest-5-ene-3,4,21-triol-3,21-Disulfate

(3alpha,4beta)-Cholest-5-ene-3,4,21-triol-3,21-Disulfate

C27H46O9S2 (578.2583106000001)


   

1,9-Dibenzoyloxy-6,8-diacetyloxydihydroagarofuran

1,9-Dibenzoyloxy-6,8-diacetyloxydihydroagarofuran

C33H38O9 (578.2515698)


   
   
   

Elymoclavine-O-beta-fructofuranosyl-(2->1)-O-beta-D-ructofuranoside

Elymoclavine-O-beta-fructofuranosyl-(2->1)-O-beta-D-ructofuranoside

C28H38N2O11 (578.2475478)


   

Phellophyll a

21H,23H-Porphine-2,20-dicarboxylic acid, 12-ethenyl-7-ethyl-17,18-dihydro-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-, cyclic anhydride, (17S-trans)-

C34H34N4O5 (578.2529074)


   

Asp Lys Met Trp

(3S)-3-amino-3-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pentyl]carbamoyl}propanoic acid

C26H38N6O7S (578.2522558000001)


   

Asp Lys Trp Met

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-carboxypropanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H38N6O7S (578.2522558000001)


   

Asp Met Lys Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C26H38N6O7S (578.2522558000001)


   

Asp Met Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C26H38N6O7S (578.2522558000001)


   

Asp Trp Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

C26H38N6O7S (578.2522558000001)


   

Asp Trp Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

C26H38N6O7S (578.2522558000001)


   

Glu Phe Phe His

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

C29H34N6O7 (578.2488854000001)


   

Glu Phe His Phe

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

C29H34N6O7 (578.2488854000001)


   

Glu His Phe Phe

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

C29H34N6O7 (578.2488854000001)


   

Phe Glu Phe His

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

C29H34N6O7 (578.2488854000001)


   

Phe Glu His Phe

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

C29H34N6O7 (578.2488854000001)


   

Phe Phe Glu His

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

C29H34N6O7 (578.2488854000001)


   

Phe Phe His Glu

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

C29H34N6O7 (578.2488854000001)


   

Phe His Glu Phe

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

C29H34N6O7 (578.2488854000001)


   

Phe His Phe Glu

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

C29H34N6O7 (578.2488854000001)


   

His Glu Phe Phe

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

C29H34N6O7 (578.2488854000001)


   

His Phe Glu Phe

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

C29H34N6O7 (578.2488854000001)


   

His Phe Phe Glu

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

C29H34N6O7 (578.2488854000001)


   

His Pro Tyr Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

His Tyr Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

His Tyr Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Lys Asp Met Trp

(3S)-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid

C26H38N6O7S (578.2522558000001)


   

Lys Asp Trp Met

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-2,6-diaminohexanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H38N6O7S (578.2522558000001)


   

Lys Met Asp Trp

(3S)-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C26H38N6O7S (578.2522558000001)


   

Lys Met Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C26H38N6O7S (578.2522558000001)


   

Lys Trp Asp Met

(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C26H38N6O7S (578.2522558000001)


   

Lys Trp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C26H38N6O7S (578.2522558000001)


   

Met Asp Lys Trp

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanoic acid

C26H38N6O7S (578.2522558000001)


   

Met Asp Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C26H38N6O7S (578.2522558000001)


   

Met Lys Asp Trp

(3S)-3-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C26H38N6O7S (578.2522558000001)


   

Met Lys Trp Asp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C26H38N6O7S (578.2522558000001)


   

Met Trp Asp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]hexanoic acid

C26H38N6O7S (578.2522558000001)


   

Met Trp Lys Asp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]butanedioic acid

C26H38N6O7S (578.2522558000001)


   

Asn Pro Trp Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Asn Pro Tyr Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Asn Trp Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Asn Trp Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Asn Tyr Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Asn Tyr Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Pro His Tyr Tyr

(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Asn Trp Tyr

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Asn Tyr Trp

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Trp Asn Tyr

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Trp Tyr Asn

(2S)-3-carbamoyl-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Tyr His Tyr

(2S)-3-(4-hydroxyphenyl)-2-[(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Tyr Asn Trp

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Tyr Trp Asn

(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C29H34N6O7 (578.2488854000001)


   

Pro Tyr Tyr His

(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Ser Thr Trp Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Ser Trp Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Ser Trp Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C29H34N6O7 (578.2488854000001)


   

Thr Ser Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Thr Trp Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Thr Trp Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Asp Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

C26H38N6O7S (578.2522558000001)


   

Trp Asp Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

C26H38N6O7S (578.2522558000001)


   

Trp Lys Asp Met

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C26H38N6O7S (578.2522558000001)


   

Trp Lys Met Asp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C26H38N6O7S (578.2522558000001)


   

Trp Met Asp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]hexanoic acid

C26H38N6O7S (578.2522558000001)


   

Trp Met Lys Asp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]hexanamido]butanedioic acid

C26H38N6O7S (578.2522558000001)


   

Trp Asn Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Asn Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Trp Pro Asn Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Pro Tyr Asn

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Ser Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Ser Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Thr Ser Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Thr Trp Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Trp Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Trp Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C29H34N6O7 (578.2488854000001)


   

Trp Tyr Asn Pro

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

C29H34N6O7 (578.2488854000001)


   

Trp Tyr Pro Asn

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr His Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr His Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Asn Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Asn Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Pro His Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Pro Asn Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Pro Trp Asn

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Pro Tyr His

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Trp Asn Pro

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

C29H34N6O7 (578.2488854000001)


   

Tyr Trp Pro Asn

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Tyr His Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C29H34N6O7 (578.2488854000001)


   

Tyr Tyr Pro His

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

C29H34N6O7 (578.2488854000001)


   

DCRVS

Asp-Cys-Arg-Val-Ser

C21H38N8O9S (578.2482338)


   

KSDET

Lys-Ser-Asp-Glu-Thr

C22H38N6O12 (578.2547588)


   

Trandolaprilat glucuronide

Trandolaprilat glucuronide

C28H38N2O11 (578.2475478)


   

Withaperuvin H

6-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,9,15,21-tetrahydroxy-1,5-dimethyl-16-oxa-13-thiapentacyclo[10.8.1.0^{2,10}.0^{5,9}.0^{17,21}]henicos-18-en-20-one

C30H42O9S (578.2549402000001)


   

2-((e)-2-(2-methoxy-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3h-indolium perchlorate

2-((e)-2-(2-methoxy-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3h-indolium perchlorate

C33H39ClN2O5 (578.2547354)


   

Netupitant

Netupitant

C30H32F6N4O (578.2480174)


C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].

   

5-Hydroxyprotoporphyrin

5-Hydroxyprotoporphyrin

C34H34N4O5 (578.2529074)


   

Orbiculin A

Orbiculin A

C33H38O9 (578.2515698)


A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by an acetoxy groups at positions 1 and 2 and benzoyloxy groups at positions 6 and 9 (the 1beta,2beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.

   
   

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

C29H40Cl2N4O4 (578.242646)


   

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

C29H40Cl2N4O4 (578.242646)


   

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

C29H40Cl2N4O4 (578.242646)


   

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

C29H40Cl2N4O4 (578.242646)


   

2-[3-(7-amino-2-tert-butyl-4H-chromen-4-ylidene)prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate

2-[3-(7-amino-2-tert-butyl-4H-chromen-4-ylidene)prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate

C32H38N2O6S (578.2450448)


   

3-[(17S,18R)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid

3-[(17S,18R)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid

C34H34N4O5 (578.2529074)


   

3-[(17S,18S)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid

3-[(17S,18S)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid

C34H34N4O5 (578.2529074)


   

6-[(2E)-2-[(E)-3-(2-tert-butyl-7-iminochromen-4-yl)prop-2-enylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid

6-[(2E)-2-[(E)-3-(2-tert-butyl-7-iminochromen-4-yl)prop-2-enylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid

C32H38N2O6S (578.2450448)


   

3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-

3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-

C34H34N4O5 (578.2529074)


   
   
   
   

8,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

8,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C33H38O9 (578.2515698)


   

(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C33H38O9 (578.2515698)


   

[(1r,3as,3bs,7s,9r,9ar,9bs,11as)-9-hydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-1-(sulfooxy)heptan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,3as,3bs,7s,9r,9ar,9bs,11as)-9-hydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-1-(sulfooxy)heptan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C27H46O9S2 (578.2583106000001)


   

4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

1β,6α-diacetoxy-8β,9β-dibenzoyloxy-β-dihydro-agarofuran

NA

C33H38O9 (578.2515698)


{"Ingredient_id": "HBIN002373","Ingredient_name": "1\u03b2,6\u03b1-diacetoxy-8\u03b2,9\u03b2-dibenzoyloxy-\u03b2-dihydro-agarofuran","Alias": "NA","Ingredient_formula": "C33H38O9","Ingredient_Smile": "CC1CCC(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5291","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

C33H38O9 (578.2515698)


   

(2z)-4-[(1s,2s,15s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

(2z)-4-[(1s,2s,15s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

(2z)-4-[(1s,2s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

(2z)-4-[(1s,2s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-{[(3-phenylprop-2-enoyl)oxy]methyl}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-{[(3-phenylprop-2-enoyl)oxy]methyl}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

(1s,2r,5s,6s,7s,8s,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2r,5s,6s,7s,8s,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C33H38O9 (578.2515698)


   

(2z)-4-[(1s,2s,9r,17s,19r)-9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid

(2z)-4-[(1s,2s,9r,17s,19r)-9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

(1s,2r,5s,6s,7s,8r,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

(1s,2r,5s,6s,7s,8r,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

C33H38O9 (578.2515698)


   

methyl 2-[(1r,2s,8s,13s,14s,20s)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate

methyl 2-[(1r,2s,8s,13s,14s,20s)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate

C33H38O9 (578.2515698)


   

methyl 2-{9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate

methyl 2-{9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate

C33H38O9 (578.2515698)


   

methyl 2-{9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate

methyl 2-{9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate

C33H38O9 (578.2515698)


   

(1s,2r,4s,5r,6r,7s,9r,12r)-4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2r,4s,5r,6r,7s,9r,12r)-4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

(2z)-4-[(1s,2s,15r,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

(2z)-4-[(1s,2s,15r,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C33H38O9 (578.2515698)


   

methyl 3-[(22s,23s)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate

methyl 3-[(22s,23s)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate

C34H34N4O5 (578.2529074)


   

(2e)-4-[(1s,2s,13s,15r)-6,8-dihydroxy-5-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid

(2e)-4-[(1s,2s,13s,15r)-6,8-dihydroxy-5-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

methyl 2-[(1s,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate

methyl 2-[(1s,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate

C33H38O9 (578.2515698)


   

4-[6,8-dihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid

4-[6,8-dihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

(1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

(1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C33H38O9 (578.2515698)


   

5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

methyl 3-[(22s,23s)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate

methyl 3-[(22s,23s)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate

C34H34N4O5 (578.2529074)


   

(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

4-[9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid

4-[9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)


   

(1s,2r,5s,6s,7s,8r,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2r,5s,6s,7s,8r,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

(1s,2r,6s,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

(1s,2r,6s,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

C33H38O9 (578.2515698)


   

(1s,2s,5s,6s,7s,9r,12r)-5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2s,5s,6s,7s,9r,12r)-5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C33H38O9 (578.2515698)


   

4-[12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

4-[12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

C33H38O9 (578.2515698)