Exact Mass: 454.1238

Exact Mass Matches: 454.1238

Found 84 metabolites which its exact mass value is equals to given mass value 454.1238, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Carfecillin

CARBENICILLIN PHENYL SODIUM

C23H22N2O6S (454.1199)


G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic ATC code: G01AA08

   

Carfecillin

6-[(1-Hydroxy-3-oxo-3-phenoxy-2-phenylpropylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C23H22N2O6S (454.1199)


   

Henagliflozin

5-{4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

C22H24ClFO7 (454.1195)


   

Didymocalyxin A

Didymocalyxin A

C24H22O9 (454.1264)


   

Curtisian L

Curtisian L

C24H22O9 (454.1264)


   

Epicoccin G

Epicoccin G

C20H26N2O6S2 (454.1232)


   

SW222254-1

SW222254-1

C23H28Cl2O5 (454.1314)


   

SCHEMBL5384624

SCHEMBL5384624

C23H19FN2O7 (454.1176)


   

Dillanosid

Dillanosid

C24H22O9 (454.1264)


   

6-O-(beta-D-glucopyranosyl)-5-hydroxy-7-phenyl-3H-benzo[de]isochromen-1-one

6-O-(beta-D-glucopyranosyl)-5-hydroxy-7-phenyl-3H-benzo[de]isochromen-1-one

C24H22O9 (454.1264)


   

echoside C

echoside C

C24H22O9 (454.1264)


   

Aflavarin

Aflavarin

C24H22O9 (454.1264)


   

Antibiotic BE 12406B

Antibiotic BE 12406B

C24H22O9 (454.1264)


   

Tetraacetylbrazilin

Tetraacetylbrazilin

C24H22O9 (454.1264)


   

nafcillin sodium

nafcillin sodium

C21H23N2NaO6S (454.1174)


   

(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H22O9 (454.1264)


   

(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]

NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]

C24H22O9 (454.1264)


   

(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]

NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]

C24H22O9 (454.1264)


   

CP-671305

CP-671305

C23H19FN2O7 (454.1176)


CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4428; ORIGINAL_PRECURSOR_SCAN_NO 4426 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4422; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4449 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4511 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4416 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8758; ORIGINAL_PRECURSOR_SCAN_NO 8756 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8781; ORIGINAL_PRECURSOR_SCAN_NO 8779 INTERNAL_ID 361; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8781; ORIGINAL_PRECURSOR_SCAN_NO 8779 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8794; ORIGINAL_PRECURSOR_SCAN_NO 8792 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8805; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8809

   

Cys Cys Glu Thr

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

C15H26N4O8S2 (454.1192)


   

Cys Cys Thr Glu

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]pentanedioic acid

C15H26N4O8S2 (454.1192)


   

Cys Asp Met Ser

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Cys Asp Ser Met

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Cys Glu Cys Thr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1192)


   

Cys Glu Thr Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1192)


   

Cys Met Asp Ser

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Cys Met Ser Asp

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

C15H26N4O8S2 (454.1192)


   

Cys Ser Asp Met

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Cys Ser Met Asp

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

C15H26N4O8S2 (454.1192)


   

Cys Thr Cys Glu

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H26N4O8S2 (454.1192)


   

Cys Thr Glu Cys

(4S)-4-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1192)


   

Asp Cys Met Ser

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Asp Cys Ser Met

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

C15H26N4O8S2 (454.1192)


   

Asp Met Cys Ser

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Asp Met Ser Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Asp Ser Cys Met

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

C15H26N4O8S2 (454.1192)


   

Asp Ser Met Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Glu Cys Cys Thr

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

C15H26N4O8S2 (454.1192)


   

Glu Cys Thr Cys

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

C15H26N4O8S2 (454.1192)


   

Glu Thr Cys Cys

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

C15H26N4O8S2 (454.1192)


   

Met Cys Asp Ser

(3S)-3-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Met Cys Ser Asp

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

C15H26N4O8S2 (454.1192)


   

Met Asp Cys Ser

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Met Asp Ser Cys

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Met Ser Cys Asp

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

C15H26N4O8S2 (454.1192)


   

Met Ser Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Ser Cys Asp Met

(3S)-3-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Ser Cys Met Asp

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

C15H26N4O8S2 (454.1192)


   

Ser Asp Cys Met

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

C15H26N4O8S2 (454.1192)


   

Ser Asp Met Cys

(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Ser Met Cys Asp

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

C15H26N4O8S2 (454.1192)


   

Ser Met Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C15H26N4O8S2 (454.1192)


   

Thr Cys Cys Glu

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H26N4O8S2 (454.1192)


   

Thr Cys Glu Cys

(4S)-4-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H26N4O8S2 (454.1192)


   

Thr Glu Cys Cys

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

C15H26N4O8S2 (454.1192)


   

Nap-Met-OH

(S)-5-(methylthio)-2-(3-(naphthalen-2-ylmethoxy)-4-nitrobenzamido)pentanoic acid

C23H22N2O6S (454.1199)


   

Met-Nap-OH

(S)-2-(3-(2-(methylthio)ethoxy)-4-nitrobenzamido)-4-(naphthalen-2-yl)butanoic acid

C23H22N2O6S (454.1199)


   

4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-glucopyranoside

4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-glucopyranoside

C21H26O9S (454.1297)


   

Dichlorisone acetate

Dichlorisone acetate

C23H28Cl2O5 (454.1314)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids Dichlorisone acetate is a synthetic glucocorticoid corticosteroid used as an anti-inflammatory agent.

   

tetrabenzylzirconium

tetrabenzylzirconium

C28H28Zr (454.1238)


   

1-(3,5-Di-O-benzoyl-2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione

1-(3,5-Di-O-benzoyl-2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione

C23H19FN2O7 (454.1176)


   

Nafcillin sodium monohydrate

Nafcillin sodium salt monohydrate

C21H23N2NaO6S (454.1174)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Henagliflozin

Henagliflozin

C22H24ClFO7 (454.1195)


   

(R)-2-(4-((((2-((Benzo(1,3)dioxol-5-yl)oxy)pyridin-3-yl)carbonyl)amino)methyl)-3-fluorophenoxy)propionic acid

(R)-2-(4-((((2-((Benzo(1,3)dioxol-5-yl)oxy)pyridin-3-yl)carbonyl)amino)methyl)-3-fluorophenoxy)propionic acid

C23H19FN2O7 (454.1176)


   

(2s)-2-[3-(Aminomethyl)phenyl]-3-[(R)-Hydroxy{(1r)-2-Methyl-1-[(Phenylsulfonyl)amino]propyl}phosphoryl]propanoic Acid

(2s)-2-[3-(Aminomethyl)phenyl]-3-[(R)-Hydroxy{(1r)-2-Methyl-1-[(Phenylsulfonyl)amino]propyl}phosphoryl]propanoic Acid

C20H27N2O6PS (454.1327)


   

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-[(4-chlorophenoxy)methyl]-2-furanyl]methanone

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-[(4-chlorophenoxy)methyl]-2-furanyl]methanone

C24H23ClN2O5 (454.1295)


   

sodium;(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate

sodium;(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate

C21H23N2NaO6S (454.1174)


   

ST 21:5;O6;S

ST 21:5;O6;S

C21H26O9S (454.1297)


   

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3r)-3-hydroxybutanoate

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3r)-3-hydroxybutanoate

C24H22O9 (454.1264)


   

7-epiphlomiol

NA

C17H26O14 (454.1322)


{"Ingredient_id": "HBIN013183","Ingredient_name": "7-epiphlomiol","Alias": "NA","Ingredient_formula": "C17H26O14","Ingredient_Smile": "CC1(C(C(C2(C1(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O","Ingredient_weight": "454.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6996","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "24721557","DrugBank_id": "NA"}

   

albumin

NA

C23H22Cl2N5O+ (454.1201)


{"Ingredient_id": "HBIN015092","Ingredient_name": "albumin","Alias": "NA","Ingredient_formula": "C23H22Cl2N5O+","Ingredient_Smile": "C[N+](C)(C)C.C1CC(=C(C1=CC(C#N)C#N)Cl)C=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32270","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,4s,5s,8s,9s,11r,14s,15s,18s,19s)-5,8,15,18-tetrahydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,12-dione

(1r,4s,5s,8s,9s,11r,14s,15s,18s,19s)-5,8,15,18-tetrahydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,12-dione

C20H26N2O6S2 (454.1232)


   

(1r,4r,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

(1r,4r,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

C20H26N2O6S2 (454.1232)


   

(1s,4r,5r,9s,11s,14r,15r,19s)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

(1s,4r,5r,9s,11s,14r,15r,19s)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

C20H26N2O6S2 (454.1232)


   

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3s)-3-hydroxybutanoate

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3s)-3-hydroxybutanoate

C24H22O9 (454.1264)


   

5,8,15,18-tetrahydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,12-dione

5,8,15,18-tetrahydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,12-dione

C20H26N2O6S2 (454.1232)


   

3,4,5-trihydroxy-6-({4-phenyl-[1,1'-biphenyl]-2,6-diyl}oxy)oxane-2-carboxylic acid

3,4,5-trihydroxy-6-({4-phenyl-[1,1'-biphenyl]-2,6-diyl}oxy)oxane-2-carboxylic acid

C24H22O9 (454.1264)


   

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-phenyl-[1,1'-biphenyl]-2,6-diyl}oxy)oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-phenyl-[1,1'-biphenyl]-2,6-diyl}oxy)oxane-2-carboxylic acid

C24H22O9 (454.1264)


   

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

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

C17H26O14 (454.1322)


   

(10r)-1,4-dihydroxy-2,3,6,7-tetramethoxy-10-phenyl-9h,10h-cyclohepta[b]chromene-8,11-dione

(10r)-1,4-dihydroxy-2,3,6,7-tetramethoxy-10-phenyl-9h,10h-cyclohepta[b]chromene-8,11-dione

C24H22O9 (454.1264)


   

1,4-dihydroxy-2,3,6,7-tetramethoxy-10-phenyl-9h,10h-cyclohepta[b]chromene-8,11-dione

1,4-dihydroxy-2,3,6,7-tetramethoxy-10-phenyl-9h,10h-cyclohepta[b]chromene-8,11-dione

C24H22O9 (454.1264)


   

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate

6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate

C24H22O9 (454.1264)


   

7-hydroxy-10-phenyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one

7-hydroxy-10-phenyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one

C24H22O9 (454.1264)


   

5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone

C20H26N2O6S2 (454.1232)