Exact Mass: 999.5766349999999

Solaculine A

C50H81NO19 (999.5402515999999)

Eryloside E

C51H85NO18 (999.5766349999999)

Robustine

C50H81NO19 (999.5402515999999)

4-O-isovaleryltylosin

C51H85NO18 (999.5766349999999)

micropeptin SD999

C47H73N11O13 (999.5389048)

Hex3Cer 17:2;2O/16:4

C51H85NO18 (999.5766349999999)

Hex3Cer 17:3;2O/16:3

C51H85NO18 (999.5766349999999)

(5Z,8Z,11Z,14Z,17Z)-N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytridec-4-en-2-yl]icosa-5,8,11,14,17-pentaenamide

C51H85NO18 (999.5766349999999)

(8Z,11Z,14Z,17Z)-N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]icosa-8,11,14,17-tetraenamide

C51H85NO18 (999.5766349999999)

(7Z,10Z,13Z,16Z,19Z)-N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide

C51H85NO18 (999.5766349999999)

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyundecan-2-yl]docosa-4,7,10,13,16,19-hexaenamide

C51H85NO18 (999.5766349999999)

(9Z,12Z,15Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadeca-4,8,12-trien-2-yl]octadeca-9,12,15-trienamide

C51H85NO18 (999.5766349999999)

(6Z,9Z,12Z,15Z,18Z,21Z)-N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxynonan-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide

C51H85NO18 (999.5766349999999)

(3Z,6Z,9Z,12Z,15Z)-N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadec-4-en-2-yl]octadeca-3,6,9,12,15-pentaenamide

C51H85NO18 (999.5766349999999)

(9Z,12Z,15Z,18Z,21Z)-N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]tetracosa-9,12,15,18,21-pentaenamide

C51H85NO18 (999.5766349999999)

(6Z,9Z,12Z,15Z)-N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]octadeca-6,9,12,15-tetraenamide

C51H85NO18 (999.5766349999999)

Hex3Cer 33:6;O2

C51H85NO18 (999.5766349999999)

(2s,3r,4r,5s,6s)-2-{[(2s,3r,4r,5s,6r)-5-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-[(1r,2s,4s,5'r,6s,7s,8r,9s,12r,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

arudonine

C50H81NO19 (999.5402515999999)

{"Ingredient_id": "HBIN017002","Ingredient_name": "arudonine","Alias": "NA","Ingredient_formula": "C50H81NO19","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)NC1","Ingredient_weight": "1000.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1822","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102333230","DrugBank_id": "NA"}

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-5-[2-(2-aminophenyl)-2-oxoethyl]-2-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C47H73N11O13 (999.5389048)

(2s)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2-benzyl-6,13,16,21-tetrahydroxy-5-(1h-indol-3-ylmethyl)-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyhexylidene)amino]pentanediimidic acid

C52H73N9O11 (999.5429267999999)

2-{[2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

2-{[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-5-[2-(2-aminophenyl)-2-oxoethyl]-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-2-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C47H73N11O13 (999.5389048)

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

n-{2-[(4,5-dihydroxy-2-{[1-(5-hydroxy-5,6,6-trimethylheptan-2-yl)-6,6,9a,11a-tetramethyl-3a-{[(3,4,5-trihydroxyoxan-2-yl)oxy]carbonyl}-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}ethanimidic acid

C51H85NO18 (999.5766349999999)

(5r,8s,11r,12s,15s,18s,19s,22r)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-25-oxo-15-(2-phenylethyl)-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C53H73N7O12 (999.5316938)

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5's,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

3-({5-[2-(2-aminophenyl)-2-oxoethyl]-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-2-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl}-c-hydroxycarbonimidoyl)-3-[(1-hydroxyhexylidene)amino]propanoic acid

C47H73N11O13 (999.5389048)

(2s,3s,4s,5s,6s)-2-{[(2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(1s,2s,4r,5'r,6s,7r,8s,9r,12r,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2r,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

n-[(2s,3r,4r,5s,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(1r,3as,5ar,7s,9as,11ar)-1-[(2r,5r)-5-hydroxy-5,6,6-trimethylheptan-2-yl]-6,6,9a,11a-tetramethyl-3a-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

C51H85NO18 (999.5766349999999)

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H81NO19 (999.5402515999999)