Exact Mass: 616.3611

Exact Mass Matches: 616.3611

Found 49 metabolites which its exact mass value is equals to given mass value 616.3611, within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error 8.0E-6 dalton.

Avermectin A2a aglycone

C35H52O9 (616.3611)

Cimicidanol 3-arabinoside

(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one

C35H52O9 (616.3611)

(5R,7R,8R,9R,10S,11R,13S,17S)-17-{(2R,3S,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-methoxytetrahydrofuran-3-yl}-4,5,6,7,8,9,10,11,12,13,16,17-dodechydro-4,4,8,10,13-pentamethyl-3-oxo-3H-cyclopenta[a]phenanthrene-7,11-diyl diacetate|protoxylocarpin E

(5R,7R,8R,9R,10S,11R,13S,17S)-17-{(2R,3S,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-methoxytetrahydrofuran-3-yl}-4,5,6,7,8,9,10,11,12,13,16,17-dodechydro-4,4,8,10,13-pentamethyl-3-oxo-3H-cyclopenta[a]phenanthrene-7,11-diyl diacetate|protoxylocarpin E

C35H52O9 (616.3611)

Cimicifugoside H1

(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one

C35H52O9 (616.3611)

Cimicifugoside H1 is a natural product found in Actaea elata, Actaea cimicifuga, and other organisms with data available. See also: Black Cohosh (part of).

Protoxylocarpin E

C35H52O9 (616.3611)

A natural product found in Xylocarpus granatum.

ST 29:4;O3;GlcA

C35H52O9 (616.3611)

ST 29:5;O4;Hex

C35H52O9 (616.3611)

Cimicifugoside H-1

C35H52O9 (616.3611)

Cimicifugoside H-1, a cyclolanostanol xyloside, is a major constituent of C. foetida L. extract. Cimicifugoside H-1 inhibits bone resorption and ovariectomy-induced bone loss[1][2][3]. Cimicifugoside H-1, a cyclolanostanol xyloside, is a major constituent of C. foetida L. extract. Cimicifugoside H-1 inhibits bone resorption and ovariectomy-induced bone loss[1][2][3].

(1r,2s,4r,5s,6s,10s,11r,12r,14r,15r)-5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-14-yl (2e,4e)-pentadeca-2,4-dienoate

(1r,2s,4r,5s,6s,10s,11r,12r,14r,15r)-5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-14-yl (2e,4e)-pentadeca-2,4-dienoate

C35H52O9 (616.3611)

6-[(8a-carboxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C35H52O9 (616.3611)

(1r,3r,6s,8r,12r,15r,16r,18s)-18-hydroxy-15-[(2r,5r)-5-hydroxy-6-methyl-4-oxohept-6-en-2-yl]-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

(1r,3r,6s,8r,12r,15r,16r,18s)-18-hydroxy-15-[(2r,5r)-5-hydroxy-6-methyl-4-oxohept-6-en-2-yl]-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

C35H52O9 (616.3611)

15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

C35H52O9 (616.3611)

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(1r,2s,4s,5s,8r,10s,14r,15r,18s,20r)-18-hydroxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carbonyloxy]oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(1r,2s,4s,5s,8r,10s,14r,15r,18s,20r)-18-hydroxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carbonyloxy]oxane-2-carboxylic acid

C35H52O9 (616.3611)

5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-14-yl pentadeca-2,4-dienoate

C35H52O9 (616.3611)

9-(but-1-en-1-yl)-13-hydroxy-14-methyl-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

C35H52O9 (616.3611)

(3s,6s,8s,12r,15r,16r)-15-[(2r)-4-[(2r)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),10-dien-14-one

(3s,6s,8s,12r,15r,16r)-15-[(2r)-4-[(2r)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),10-dien-14-one

C35H52O9 (616.3611)

(1r,2s,4r,5s,6s,10s,11r,12r,14r,15r)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-15-yl (2e,4e)-pentadeca-2,4-dienoate

(1r,2s,4r,5s,6s,10s,11r,12r,14r,15r)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-15-yl (2e,4e)-pentadeca-2,4-dienoate

C35H52O9 (616.3611)

(13e)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylidene-2-[(1e)-4-methylpenta-1,3-dien-1-yl]-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]heptacos-13-ene-4,18,21-trione

C35H52O9 (616.3611)

(6s,11r,12s,13r,15r,16r)-13-hydroxy-15-[(2r)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2,8-trien-14-one

(6s,11r,12s,13r,15r,16r)-13-hydroxy-15-[(2r)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2,8-trien-14-one

C35H52O9 (616.3611)

(1s,3r,6s,8r,12r,15s,16r,18s)-15-[(2r)-4-[(2s)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

(1s,3r,6s,8r,12r,15s,16r,18s)-15-[(2r)-4-[(2s)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

C35H52O9 (616.3611)

6-{11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethyl-4-oxoheptanoic acid

C35H52O9 (616.3611)

(2s,4r,5s,6s,10s,11r,12r,14r,15r)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-15-yl (2e,4e)-pentadeca-2,4-dienoate

(2s,4r,5s,6s,10s,11r,12r,14r,15r)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-15-yl (2e,4e)-pentadeca-2,4-dienoate

C35H52O9 (616.3611)

13-hydroxy-15-(6-hydroxy-6-methyl-4-oxoheptan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2,8-trien-14-one

C35H52O9 (616.3611)

(1r,2s,6r,7s,9r,10s,11r,13e,15r,16s,19s,23s)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylidene-2-[(1e)-4-methylpenta-1,3-dien-1-yl]-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]heptacos-13-ene-4,18,21-trione

(1r,2s,6r,7s,9r,10s,11r,13e,15r,16s,19s,23s)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylidene-2-[(1e)-4-methylpenta-1,3-dien-1-yl]-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]heptacos-13-ene-4,18,21-trione

C35H52O9 (616.3611)

(2s,3r,4s,5r)-2-[(1'r,4'r,6'r,12'r,16'r,21'r)-4',5,6',12',17',17'-hexamethyl-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-13'-en-4-oloxy]oxane-3,4,5-triol

(2s,3r,4s,5r)-2-[(1'r,4'r,6'r,12'r,16'r,21'r)-4',5,6',12',17',17'-hexamethyl-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-13'-en-4-oloxy]oxane-3,4,5-triol

C35H52O9 (616.3611)

(2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C35H52O9 (616.3611)

(2r,3as,5ar,5bs,9r,13s,14r,16as,16br)-9-[(1e)-but-1-en-1-yl]-13-hydroxy-14-methyl-2-{[(2r,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

(2r,3as,5ar,5bs,9r,13s,14r,16as,16br)-9-[(1e)-but-1-en-1-yl]-13-hydroxy-14-methyl-2-{[(2r,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

C35H52O9 (616.3611)

(2r)-2-[(1r,2r,3as,3bs,7r,9ar,9br,11ar)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-7-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl]-5-isopropyl-2-methylfuran-3-one

(2r)-2-[(1r,2r,3as,3bs,7r,9ar,9br,11ar)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-7-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl]-5-isopropyl-2-methylfuran-3-one

C35H52O9 (616.3611)

(1s,3r,6s,8r,12r,15r,16r,18s)-15-[(2r)-4-[(2r)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

(1s,3r,6s,8r,12r,15r,16r,18s)-15-[(2r)-4-[(2r)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

C35H52O9 (616.3611)

(2s,3r,6r)-6-[(1r,3ar,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid

(2s,3r,6r)-6-[(1r,3ar,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid

C35H52O9 (616.3611)

6-({5-carboxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-en-18-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C35H52O9 (616.3611)

4-(acetyloxy)-1-[5-(1,2-dihydroxy-2-methylpropyl)-2-methoxyoxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate

C35H52O9 (616.3611)

3,4,5-trihydroxy-6-{18-hydroxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-ene-5-carbonyloxy}oxane-2-carboxylic acid

C35H52O9 (616.3611)

(3r,6s,8s,12r,15r,16r)-15-[(2r)-4-[(2r)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),10-dien-14-one

(3r,6s,8s,12r,15r,16r)-15-[(2r)-4-[(2r)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),10-dien-14-one

C35H52O9 (616.3611)

(2s,3s,4s,5r,6r)-6-{[(1r,2s,4s,5s,8r,10s,14r,15r,18s,20r)-5-carboxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-en-18-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(1r,2s,4s,5s,8r,10s,14r,15r,18s,20r)-5-carboxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0⁴,⁸.0⁵,¹⁰.0¹⁵,²⁰]docos-11-en-18-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C35H52O9 (616.3611)