Exact Mass: 538.3294215999999

CID 56928080

Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate)

Condurangogenin A

Condurangogenin A; Kondurangogenin A

Fusidate Sodium

Fusidic acid (sodium salt)

C31H47NaO6 (538.3270162)

D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent Fusidic acid sodium salt (Sodium fusidate), a bacteriostatic antibiotic produced from the Fusidium coccineum fungus, belongs to the class of steroids. Fusidic acid sodium salt has no corticosteroid effects. Fusidic acid sodium salt inhibits the growth of bacteria by preventing the release of translation elongation factor G (EF-G) from the ribosome[1][2].

BATRACHOTOXIN

1-{9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1⁵,⁹.0¹,¹⁴.0²,¹¹.0⁶,¹¹]tricosa-2,21-dien-22-yl}ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate

C30H39FN4O4 (538.2955185999999)

Ulimorelin

5-cyclopropyl-11-[(4-fluorophenyl)methyl]-2,7,8-trimethyl-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione

Colossolactone F

(+)-Colossolactone F

(+)-Paxillarine B

Colossolactone G

Paxillarine A

(+)-Crocacin A

C31H46N4O4 (538.3518875999999)

Virenamide A

C31H46N4O2S (538.3341296)

(+)-Milnamide A

Integristerone A 25-acetate

Mycarosyltylactone

5-O-Mycarosyltylactone

C22H38N10O6 (538.2975647999999)

Gelliodesxanthin

3-Hydroxy-4-oxo-3,4-didehydro-2-apo-beta,psi-caroten-2-al

C37H46O3 (538.3446766)

Sanjoinine G2

C30H42N4O5 (538.3155042)

Dysinosin D

C25H42N6O7 (538.3114822)

Colossolactone VIII

Asn His Ile Arg

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid

His Val Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C22H38N10O6 (538.2975647999999)

Methylcarbamyl-paf

C26H55N2O7P (538.3746689999999)

Gln Val His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C22H38N10O6 (538.2975647999999)

Asn Ala Leu Ala His

C23H38N8O7 (538.2863318)

Ingenol O-Decatrienoyl, O-Ac or isomer putative

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-4-methylpentanoic acid

C26H42N4O6S (538.2824912)

Tyr Thr Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]hexanamido]hexanoic acid

C25H42N6O7 (538.3114822)

(-)-Batrachotoxin

C26H55N2O7P (538.3746689999999)

Methylcarbamyl PAF C-16

1-O-hexadecyl-2-O-(N-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholine

PG(20:1(11Z)/0:0)

1-(11Z-eicosenoyl)-glycero-3-phospho-(1-sn-glycerol)

C26H51O9P (538.3270526)

LPG 20:1

1-(11Z-eicosenoyl)-glycero-3-phospho-(1-sn-glycerol)

C26H51O9P (538.3270526)

ST 29:3;O9

22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one

Zoanthone A

25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one

n-tetradecyl-beta-d-maltoside

C26H50O11 (538.335295)

(5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]oxalate

9-BENZHYDRYLIDENE-10-ANTHRONE

C30H42N4O5 (538.3155042)

2 7 12 17-TETRA-TERT-BUTYL-5 10 15 20-

C32H42N8 (538.3532252)

(2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide

C32H50N4OS (538.370513)

LITHIUM NIOBIUM TERT-BUTOXIDE

C24H54LiNbO6 (538.3144014)

nafiverine

C34H38N2O4 (538.2831428)

C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

1,4-BIS[BIS(3,5-DIMETHYLPHENYL)PHOSPHINO]BUTANE

C36H44P2 (538.2918084)

Ulimorelin

(9r,13r,14r,16r,17r,19s)-19-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate

(9r,13r,14r,16r,17r,19s)-19-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate

1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl 13-methyltetradecanoate

C28H46N2O8 (538.3253996)

(2r)-n-[(2s)-1-[(2s,3ar,5s,6s,7as)-2-{[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxy-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-2-methoxypropanimidic acid

C25H42N6O7 (538.3114822)

(2s)-2-{[(2s)-2-[bis(3-methylbut-2-en-1-yl)amino]-1-hydroxy-3-phenylpropylidene]amino}-3-methyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]butanimidic acid

C31H46N4O2S (538.3341296)

10-[7-(acetyloxy)-3a,6,6,9a-tetramethyl-2-oxo-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,6,8-trien-5-yl acetate

(2r,3r)-2-[(1s,3as,5as,7r,8s,9ar,9br,11ar)-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-6-methylheptan-3-yl acetate

(1s,3br,6r,9ar,11as)-1-[1-(dimethylamino)ethyl]-2-hydroxy-9a,11a-dimethyl-7-(n-methylbenzamido)-tetradecahydro-1h-cyclopenta[a]phenanthren-6-yl acetate

(2e)-3-[(1s,2s,4as,5r,6r,7r,8s,8ar)-5,6,7-trihydroxy-3,4a,8-trimethyl-2-[(2e,5r,7s,8r,9r)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid

(2e)-3-[(1s,2s,4as,5r,6r,7r,8s,8ar)-5,6,7-trihydroxy-3,4a,8-trimethyl-2-[(2e,5r,7s,8r,9r)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid

(9s,10r,13s,16r,17r,18s)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-18-yl acetate

(9s,10r,13s,16r,17r,18s)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-18-yl acetate

5-(5-hydroxy-3-methylpentyl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

6-[(1s,3r,12s,14s,16r)-14-(acetyloxy)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhepta-1,6-dien-3-yl acetate

3-[(1r,2r,3s,5r,6r,10s,11s,13r)-3-acetyl-2,6,10-trimethyl-5-[(1z)-1-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid

3-[(1r,2r,3s,5r,6r,10s,11s,13r)-3-acetyl-2,6,10-trimethyl-5-[(1z)-1-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid

(2e,4e,6e,8e,10e,12e,14e,16e,18e,20e,22e)-23-(4-hydroxy-2,3,3-trimethyl-6-oxocyclohex-1-en-1-yl)-4,8,12,17,21-pentamethyltricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal

C37H46O3 (538.3446766)

(2s,3s,4as,5r,8as)-5-[(3s)-5-hydroxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylprop-2-enoate

(2S,3S)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide

(2S,3S)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-pentanamide; (2S,3S)-N-[(2S)-1-amino-4-methyl-1-oxo-pentan-2-yl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-methanoylphenoxy)-4-methyl-pentanamide; (2S,3S)-N-[(1S)-1-carbamoyl-3-methylbutyl]-2-[[(2S)-2-dimethylamino-1-oxo-3-phenylpropyl]amino]-3-(4-formylphenoxy)-4-methylpentanamide; (2S,3S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-dimethylamino-3-phenylpropanoyl]amino]-3-(4-formylphenoxy)-4-methylpentanamide

C30H42N4O5 (538.3155042)

{"Ingredient_id": "HBIN006727","Ingredient_name": "(2S,3S)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide","Alias": "(2S,3S)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-pentanamide; (2S,3S)-N-[(2S)-1-amino-4-methyl-1-oxo-pentan-2-yl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-methanoylphenoxy)-4-methyl-pentanamide; (2S,3S)-N-[(1S)-1-carbamoyl-3-methylbutyl]-2-[[(2S)-2-dimethylamino-1-oxo-3-phenylpropyl]amino]-3-(4-formylphenoxy)-4-methylpentanamide; (2S,3S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-dimethylamino-3-phenylpropanoyl]amino]-3-(4-formylphenoxy)-4-methylpentanamide","Ingredient_formula": "C30H42N4O5","Ingredient_Smile": "NA","Ingredient_weight": "538.68","OB_score": "15.65957604","CAS_id": "107494-21-3","SymMap_id": "SMIT03939","TCMID_id": "NA","TCMSP_id": "MOL001538","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1-[1-(dimethylamino)ethyl]-2-hydroxy-9a,11a-dimethyl-7-(n-methylbenzamido)-tetradecahydro-1h-cyclopenta[a]phenanthren-6-yl acetate

(2r,4's,5s,6r,8'r,10'z,13'r,14's,15'z)-6-ethyl-14',21'-dihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',15',17',20',22'-hexaen-2'-one

(2r,4's,5s,6r,8'r,10'z,13'r,14's,15'z)-6-ethyl-14',21'-dihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',15',17',20',22'-hexaen-2'-one

(9r,13r,14r,16r,17r)-16-[(1s)-1-[(2r,3s)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate

(9r,13r,14r,16r,17r)-16-[(1s)-1-[(2r,3s)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate

(1ar,2r,3s,3as,5r,6r,7ar,7bs)-2-[(2e)-but-2-en-2-yl]-3-[(1e,3e,5s,6s)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dien-1-yl]-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-5-yl 2-phenylacetate

(1r,4s,7s,9s)-6,9-dihydroxy-7-methyl-14-(3-methylbut-2-en-1-yl)-4-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10(15),11,13-tetraen-3-one

(1r,4s,7s,9s)-6,9-dihydroxy-7-methyl-14-(3-methylbut-2-en-1-yl)-4-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10(15),11,13-tetraen-3-one

C33H38N4O3 (538.2943758)

2-(but-2-en-2-yl)-3-(5,7-dihydroxy-4,6-dimethylhepta-1,3-dien-1-yl)-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-5-yl 2-phenylacetate

methyl (2z,6r)-6-[(1r,3r,4r,5s,7r,11r,16s)-5-(acetyloxy)-3,7,12,12,16-pentamethyl-13-oxo-18-oxapentacyclo[13.2.1.0³,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-8(17),14-dien-4-yl]-2-methylhept-2-enoate

(1r,3br,4s,5r,5ar,9ar,9br,11as)-5-hydroxy-1-[(5s)-5-methoxy-2-oxo-5h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl 3-methylbut-2-enoate

(1s,3as,3br,5ar,6r,7r,9ar,9bs,11r,11as)-1-[(1s)-1-(dimethylamino)ethyl]-11-hydroxy-9a,11a-dimethyl-7-(n-methylbenzamido)-tetradecahydro-1h-cyclopenta[a]phenanthren-6-yl acetate

2-{3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-3,6-dihydroxy-6-methylheptan-2-yl acetate

(2r,3r)-2-[(1s,3as,5as,7s,8r,9ar,9br,11ar)-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-3,6-dihydroxy-6-methylheptan-2-yl acetate

(2r,3r)-2-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-6-methylheptan-3-yl 2-hydroxyacetate

(2r,3r)-2-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-6-methylheptan-3-yl 2-hydroxyacetate

10-hydroxy-8,8,13,17-tetramethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-18-yl acetate

(1r,2s,9r,11r,14r,15r,19s,22r,23s)-9-hydroxy-19-isopropyl-2,6,6,11,16,22-hexamethyl-13,20-dioxo-7,8-dioxahexacyclo[13.7.1.0¹,¹⁷.0²,¹⁴.0³,¹².0⁵,⁹]tricosa-3(12),4,16-trien-23-yl acetate

7,9-dimethoxy-n-{5-[(2-methoxy-2-oxoethyl)-c-hydroxycarbonimidoyl]penta-1,4-dien-1-yl}-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienimidic acid

1-[18-(4-methyl-2,5-dioxofuran-3-yl)octadecyl]propane-1,2,3-tricarboxylic acid

(5s,6e,8e)-10-[(3z,3as,5ar,7s,9ar,9bs)-7-(acetyloxy)-3a,6,6,9a-tetramethyl-2-oxo-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,6,8-trien-5-yl acetate

(5s,6e,8e)-10-[(3e,3as,5ar,7s,9ar,9bs)-7-(acetyloxy)-3a,6,6,9a-tetramethyl-2-oxo-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,6,8-trien-5-yl acetate

(2r)-2-hydroxy-n-[(1e,4r)-4-hydroxy-6-[(2s)-2-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3,5-dimethyl-6-oxohex-1-en-1-yl]-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]ethanimidic acid

3,7,15,19,23,31-hexamethyl-1,17-diazacyclodotriaconta-1,3,5,7,9,11,13,17,19,21,23,25,27,29-tetradecaene-2,18-diol

C36H46N2O2 (538.3559096)

3,5-dimethoxy-9-oxoxanthen-1-yl octadecanoate