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 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error 4.0E-5 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)