Exact Mass: 562.3506
Exact Mass Matches: 562.3506
Found 43 metabolites which its exact mass value is equals to given mass value 562.3506,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Cucurbitacin IIa
6-Hydroxy-2-methyl-5-oxo-6-{4,5,13-trihydroxy-1,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}heptan-2-yl acetic acid
Cuc IIa
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
Cucurbitacin IIa is a natural product found in Hemsleya pengxianensis with data available. Cucurbitacin IIa is a triterpene isolated from Hemsleya amalils Diels, induces apoptosis of cancer cells, reduces expression of survivin, reduces phospho-Histone H3 and increases cleaved PARP in cancer cells[1]. Cucurbitacin IIa is a triterpene isolated from Hemsleya amalils Diels, induces apoptosis of cancer cells, reduces expression of survivin, reduces phospho-Histone H3 and increases cleaved PARP in cancer cells[1].
[5-hydroxy-1,1-dimethyl-4-oxo-5-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hexyl] acetate
[5-hydroxy-1,1-dimethyl-4-oxo-5-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hexyl] acetate
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.0²,⁴.0⁶,¹⁰.0¹⁴,¹⁶]hexadec-8-en-14-yl dodecanoate
(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.0²,⁴.0⁶,¹⁰.0¹⁴,¹⁶]hexadec-8-en-14-yl dodecanoate
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based on: CCMSLIB00000848395]
NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based on: CCMSLIB00000848395]
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based: Match]
NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based: Match]
(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-ethoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
"(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-ethoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate"
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,ethylbenzene,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,ethylbenzene,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-ethoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-ethoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
2-[[3-butanoyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1s,2z,6z,11r,13r,14s,15r,18s,20s,21z,25r,27s)-11,14,15,18-tetrahydroxy-7,13,20,21,25-pentamethyl-23-methylidene-9,28-dioxabicyclo[25.1.0]octacosa-2,6,21-triene-8,16-dione
(1s,2z,6z,11r,13r,14s,15r,18s,20s,21z,25r,27s)-11,14,15,18-tetrahydroxy-7,13,20,21,25-pentamethyl-23-methylidene-9,28-dioxabicyclo[25.1.0]octacosa-2,6,21-triene-8,16-dione
(1s,2e,6e,10s,12r,13s,14s,17s,19r,20e,24r,26s)-13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
(1s,2e,6e,10s,12r,13s,14s,17s,19r,20e,24r,26s)-13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
(1s,2s,3r,4r,7r,8r,11s,12r,14r,17s)-14-(butanoyloxy)-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadecan-12-yl octanoate
(1s,2s,3r,4r,7r,8r,11s,12r,14r,17s)-14-(butanoyloxy)-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadecan-12-yl octanoate
6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl}heptan-2-yl acetate
6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl}heptan-2-yl acetate
13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
(5e,9e,18e)-22,24,25,26-tetrahydroxy-5,15,19,20,27-pentamethyl-17-methylidene-3,12,29-trioxatricyclo[23.3.1.0¹¹,¹³]nonacosa-5,9,18-trien-4-one
(5e,9e,18e)-22,24,25,26-tetrahydroxy-5,15,19,20,27-pentamethyl-17-methylidene-3,12,29-trioxatricyclo[23.3.1.0¹¹,¹³]nonacosa-5,9,18-trien-4-one
(6r)-6-[(1r,2r,3as,3br,7s,8s,9ar,9br,11ar)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
(6r)-6-[(1r,2r,3as,3br,7s,8s,9ar,9br,11ar)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
(1s,2z,6z,10s,12r,13s,14r,17s,19r,20z,24r,26s)-13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
(1s,2z,6z,10s,12r,13s,14r,17s,19r,20z,24r,26s)-13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
(2s,4ar,6as,6br,8ar,9r,10r,11s,12as,12br,13r,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(2s,4ar,6as,6br,8ar,9r,10r,11s,12as,12br,13r,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
13,14,17-trihydroxy-10-(hydroxymethyl)-7,12,19,20,24-pentamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
13,14,17-trihydroxy-10-(hydroxymethyl)-7,12,19,20,24-pentamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
(1r,2s,5r,7s,8s,9r,12r,13r,15s,16r)-13-(acetyloxy)-15-hydroxy-1,5,7,12-tetramethyl-5-[(1s)-1-[(3s)-5-oxooxolan-3-yl]ethyl]-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecan-8-yl 2-methylbutanoate
(1r,2s,5r,7s,8s,9r,12r,13r,15s,16r)-13-(acetyloxy)-15-hydroxy-1,5,7,12-tetramethyl-5-[(1s)-1-[(3s)-5-oxooxolan-3-yl]ethyl]-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecan-8-yl 2-methylbutanoate
14-(butanoyloxy)-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadecan-12-yl octanoate
14-(butanoyloxy)-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadecan-12-yl octanoate
(1r,2s,4r,5s,6s,10s,11s,12r,14s,16r)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.0²,⁴.0⁶,¹⁰.0¹⁴,¹⁶]hexadec-8-en-14-yl dodecanoate
(1r,2s,4r,5s,6s,10s,11s,12r,14s,16r)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.0²,⁴.0⁶,¹⁰.0¹⁴,¹⁶]hexadec-8-en-14-yl dodecanoate
