Metabolite List

metabolites which its exact mass nearly 547.2054 with tolerance error 0.01 da.

K-13 (BioCAD00000498533)
Formula: C29H29N3O8 (Exact Mass: 547.1955)

N-[(5S,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (BioCAD00000521781)
Formula: C26H33N3O8S (Exact Mass: 547.1988)

N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (BioCAD00000521846)
Formula: C26H33N3O8S (Exact Mass: 547.1988)

N-[(5R,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (BioCAD00000521907)
Formula: C26H33N3O8S (Exact Mass: 547.1988)

N-[(5S,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (BioCAD00000521921)
Formula: C26H33N3O8S (Exact Mass: 547.1988)

N-[(5R,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (BioCAD00000521991)
Formula: C26H33N3O8S (Exact Mass: 547.1988)

N-[(5S,6R,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (BioCAD00000522071)
Formula: C26H33N3O8S (Exact Mass: 547.1988)

Perazine dimalonate (BioCAD00000533447)
Formula: C20H25N3S.2C3H4O4 (Exact Mass: 547.1988)

1,3-dimethyl-6-(4-methylphenyl)-5-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (BioCAD00000652374)
Formula: C30H25N7O4 (Exact Mass: 547.1968)

1,3-dimethyl-5-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-6-(3-nitrophenyl)-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (BioCAD00000653640)
Formula: C30H25N7O4 (Exact Mass: 547.1968)

2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide (BioCAD00000674941)
Formula: C29H30ClN5O4 (Exact Mass: 547.1986)

K-13 (Ace inhib) (BioCAD00000747181)
Formula: C29H29N3O8 (Exact Mass: 547.1955)

2-[7-[3-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-oxoisoquinolin-2-yl]-N-pyridin-3-ylacetamide (BioCAD00001345420)
Formula: C29H29N3O8 (Exact Mass: 547.1955)

STL551079 (BioCAD00001580088)
Formula: C29H29N3O8 (Exact Mass: 547.1955)

STL546673 (BioCAD00001592357)
Formula: C29H29N3O8 (Exact Mass: 547.1955)

STL461770 (BioCAD00001595533)
Formula: C34H29NO6 (Exact Mass: 547.1995)

STK551458 (BioCAD00001632358)
Formula: C34H29NO6 (Exact Mass: 547.1995)

STK553175 (BioCAD00001663564)
Formula: C34H29NO6 (Exact Mass: 547.1995)

(BioCAD00001777664)
Formula: C34H29NO6 (Exact Mass: 547.1995)

(BioCAD00001793820)
Formula: C29H29N3O8 (Exact Mass: 547.1955)