Exact Mass: 715.3696438
Exact Mass Matches: 715.3696438
Found 75 metabolites which its exact mass value is equals to given mass value 715.3696438,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Saquinavir-NO
N-{4-[3-(tert-butyl-C-hydroxycarbonimidoyl)-decahydroisoquinolin-2-yl]-3-(nitrooxy)-1-phenylbutan-2-yl}-2-[(quinolin-2-yl)formamido]butanediimidate
C38H49N7O7 (715.3693284000001)
9alpha,13alpha-diacetoxy-10beta-benzyloxy-5alpha-(3-dimethylamino-3-phenyl)-propionyloxy-11(15->1)abeotaxa-4(20),11-diene-15-ol
9alpha,13alpha-diacetoxy-10beta-benzyloxy-5alpha-(3-dimethylamino-3-phenyl)-propionyloxy-11(15->1)abeotaxa-4(20),11-diene-15-ol
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,8,9-triacetate-2-ncotinate-5-(2-methylbutyrate)|(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-Heptahydroxyjatropha-6(17),11-diene-14-one-7,8,9-triacetate-2-nicotinate-5-(2-methylbutyrate)|2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one 7,8,9-triacetate 2-nicotinate 5-(2-methylbutyrate)
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,8,9-triacetate-2-ncotinate-5-(2-methylbutyrate)|(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-Heptahydroxyjatropha-6(17),11-diene-14-one-7,8,9-triacetate-2-nicotinate-5-(2-methylbutyrate)|2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one 7,8,9-triacetate 2-nicotinate 5-(2-methylbutyrate)
erbium tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
erbium tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
C33H57ErO6 (715.3457972000001)
H-Gly-Arg-Gly-Asp-Ser-Pro-Lys-OH acetate salt
H-Gly-Arg-Gly-Asp-Ser-Pro-Lys-OH acetate salt
GRGDSPK (EMD 56574) is a peptide incluing Arg-Gly-Asp (RGD). GRGDSPK (EMD 56574) is an competitive and reversible inhibitory peptide for inhibiting integrin-fibronectin binding. GRGDSPK is used to study the role of integrins in bone formation and resorption[1][2].
N-{4-[3-(tert-butylcarbamoyl)-octahydro-1H-isoquinolin-2-yl]-3-(nitrooxy)-1-phenylbutan-2-yl}-2-(quinolin-2-ylformamido)succinamide
N-{4-[3-(tert-butylcarbamoyl)-octahydro-1H-isoquinolin-2-yl]-3-(nitrooxy)-1-phenylbutan-2-yl}-2-(quinolin-2-ylformamido)succinamide
C38H49N7O7 (715.3693284000001)
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-hydroxydec-4-en-2-yl]acetamide
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-hydroxydec-4-en-2-yl]acetamide
(7Z,10Z,13Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]hexadeca-7,10,13-trienamide
(7Z,10Z,13Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]hexadeca-7,10,13-trienamide
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]propanamide
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]propanamide
(4Z,7Z,10Z,13Z)-N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctan-2-yl]hexadeca-4,7,10,13-tetraenamide
(4Z,7Z,10Z,13Z)-N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctan-2-yl]hexadeca-4,7,10,13-tetraenamide
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-hydroxyoct-4-en-2-yl]butanamide
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-hydroxyoct-4-en-2-yl]butanamide
(2S)-2-amino-3-[2,3-bis[[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[2,3-bis[[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
neocasomorphin(1-)
neocasomorphin(1-)
C35H51N6O10 (715.3666486000001)
A peptide anion obtained from the deprotonation of the two carboxy groups, and protonation of the primary amino group of neocasomorphin. It is the major species at pH 7.3.
12,15-dibenzyl-14,17,20-trihydroxy-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-13,16,19-triene-2,5,11-trione
12,15-dibenzyl-14,17,20-trihydroxy-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-13,16,19-triene-2,5,11-trione
C40H53N5O7 (715.3944787999999)
n-(1-{10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl}-1-oxo-3-phenylpropan-2-yl)-2-(methylamino)-3-phenylpropanimidic acid
n-(1-{10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl}-1-oxo-3-phenylpropan-2-yl)-2-(methylamino)-3-phenylpropanimidic acid
3-[(2r)-2-[(5-amino-6-methyloxan-2-yl)oxy]-2-[(1s,6s)-1,6-dihydroxy-3-methyl-5-oxocyclohex-3-en-1-yl]ethyl]-4,5-dihydroxy-6-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}naphthalene-1,2-dione
3-[(2r)-2-[(5-amino-6-methyloxan-2-yl)oxy]-2-[(1s,6s)-1,6-dihydroxy-3-methyl-5-oxocyclohex-3-en-1-yl]ethyl]-4,5-dihydroxy-6-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}naphthalene-1,2-dione
(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,8,9-triacetate-2-nicotinate-5-(2-methyl-butyrate)
NA
{"Ingredient_id": "HBIN006419","Ingredient_name": "(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,8,9-triacetate-2-nicotinate-5-(2-methyl-butyrate)","Alias": "NA","Ingredient_formula": "C37H49NO13","Ingredient_Smile": "CCC(C)C(=O)OC1C2C(C(CC2(C(=O)C(C=CC(C(C(C(C1=C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)C)O)(C)OC(=O)C3=CN=CC=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9400","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3s)-n-[(3r)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2s)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid
(2r,3s)-n-[(3r)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2s)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid
n-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid
n-(1-hydroxy-2-oxoazepan-3-yl)-3-{[2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldecanimidic acid
3-{2-[(5-amino-6-methyloxan-2-yl)oxy]-2-(1,6-dihydroxy-3-methyl-5-oxocyclohex-3-en-1-yl)ethyl}-4,5-dihydroxy-6-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}naphthalene-1,2-dione
3-{2-[(5-amino-6-methyloxan-2-yl)oxy]-2-(1,6-dihydroxy-3-methyl-5-oxocyclohex-3-en-1-yl)ethyl}-4,5-dihydroxy-6-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}naphthalene-1,2-dione
2-[(2-{[(1-{2-[(2-amino-9-chlorononyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-3-(4-hydroxyphenyl)propanoic acid
2-[(2-{[(1-{2-[(2-amino-9-chlorononyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-3-(4-hydroxyphenyl)propanoic acid
(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-4,10,14,20,28-pentahydroxy-31-methoxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaene-6,18,32,34-tetrone
(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-4,10,14,20,28-pentahydroxy-31-methoxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaene-6,18,32,34-tetrone
(2s,3as,4ar,6s,8ar,9r,10r)-2,9-bis(acetyloxy)-6-{[(3r)-3-(dimethylamino)-3-phenylpropanoyl]oxy}-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
(2s,3as,4ar,6s,8ar,9r,10r)-2,9-bis(acetyloxy)-6-{[(3r)-3-(dimethylamino)-3-phenylpropanoyl]oxy}-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
2,9-bis(acetyloxy)-6-{[3-(dimethylamino)-3-phenylpropanoyl]oxy}-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
2,9-bis(acetyloxy)-6-{[3-(dimethylamino)-3-phenylpropanoyl]oxy}-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
[2-(acetyloxy)-8-(2,4-dihydroxy-5-oxo-2h-furan-3-yl)-4-hydroxy-1-{[(5-methoxy-6-methyloxan-2-yl)oxy]methyl}-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 5-methyl-1h-pyrrole-2-carboxylate
[2-(acetyloxy)-8-(2,4-dihydroxy-5-oxo-2h-furan-3-yl)-4-hydroxy-1-{[(5-methoxy-6-methyloxan-2-yl)oxy]methyl}-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 5-methyl-1h-pyrrole-2-carboxylate
9,10,11-tris(acetyloxy)-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-[(2-methylbutanoyl)oxy]-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl pyridine-3-carboxylate
9,10,11-tris(acetyloxy)-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-[(2-methylbutanoyl)oxy]-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl pyridine-3-carboxylate
16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbut-2-enoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-methylbut-2-enoate
16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbut-2-enoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-methylbut-2-enoate
(1r,2r,3ar,5s,9s,10s,11s,13r,13ar)-9,10,11-tris(acetyloxy)-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-{[(2r)-2-methylbutanoyl]oxy}-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl pyridine-3-carboxylate
(1r,2r,3ar,5s,9s,10s,11s,13r,13ar)-9,10,11-tris(acetyloxy)-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-{[(2r)-2-methylbutanoyl]oxy}-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl pyridine-3-carboxylate
[(1r,2r,4s,4as,4br,8r,8ar)-2-(acetyloxy)-8-(2,4-dihydroxy-5-oxo-2h-furan-3-yl)-4-hydroxy-1-{[(5-methoxy-6-methyloxan-2-yl)oxy]methyl}-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 5-methyl-1h-pyrrole-2-carboxylate
[(1r,2r,4s,4as,4br,8r,8ar)-2-(acetyloxy)-8-(2,4-dihydroxy-5-oxo-2h-furan-3-yl)-4-hydroxy-1-{[(5-methoxy-6-methyloxan-2-yl)oxy]methyl}-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 5-methyl-1h-pyrrole-2-carboxylate
(3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid
(3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid
[(2r,4s,4as,4br,8r,8ar,10as)-2-(acetyloxy)-8-(2,4-dihydroxy-5-oxo-2h-furan-3-yl)-4-hydroxy-1-({[(2r,5r,6s)-5-methoxy-6-methyloxan-2-yl]oxy}methyl)-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 5-methyl-1h-pyrrole-2-carboxylate
[(2r,4s,4as,4br,8r,8ar,10as)-2-(acetyloxy)-8-(2,4-dihydroxy-5-oxo-2h-furan-3-yl)-4-hydroxy-1-({[(2r,5r,6s)-5-methoxy-6-methyloxan-2-yl]oxy}methyl)-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 5-methyl-1h-pyrrole-2-carboxylate
(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,16r,18s,19s,22s,23s,25r)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-{[(2z)-2-methylbut-2-enoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2z)-2-methylbut-2-enoate
(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,16r,18s,19s,22s,23s,25r)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-{[(2z)-2-methylbut-2-enoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2z)-2-methylbut-2-enoate
(3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid
(3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid
(3s,6s,12s,15s,18s,21s)-12,15-dibenzyl-14,17,20-trihydroxy-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-13,16,19-triene-2,5,11-trione
(3s,6s,12s,15s,18s,21s)-12,15-dibenzyl-14,17,20-trihydroxy-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-13,16,19-triene-2,5,11-trione
C40H53N5O7 (715.3944787999999)