Chemical Formula: C32H48O10
Chemical Formula C32H48O10
Found 41 metabolite its formula value is C32H48O10
Debromoaplysiatoxin
Aplysiatoxin, 17-debromo-
A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens
Neritaloside
Strospeside, 16-acetate (6CI,7CI,8CI); (3,5,16)-16-(Acetyloxy)-3-[(6-deoxy-3-O-methyl--D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Neritaloside is a natural product found in Mandevilla pentlandiana and Nerium oleander with data available.
15alpha-hydroxyfoetidinol-3-O-beta-xyloside|cimicifugoside H-6
15alpha-hydroxyfoetidinol-3-O-beta-xyloside|cimicifugoside H-6
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
NCGC00380672-01!2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid [IIN-based: Match]
NCGC00380672-01!2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid [IIN-based: Match]
17-Debromoaplysiatoxin
(1S,3R,4S,5S,9R,13S,14R)-13-hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,3as,3br,5ar,7r,9r,9as,9bs,11ar)-7-{[(2r,3r,4r,5r,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate
(1r,3as,3br,5ar,7r,9r,9as,9bs,11ar)-7-{[(2r,3r,4r,5r,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate
(1s,2s,4r,5r,6r,9r,10r,12s,16r,18s,21r)-2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
(1s,2s,4r,5r,6r,9r,10r,12s,16r,18s,21r)-2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
(1r,3s,4r,5r,9s,13s,14s)-13-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2r,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
(1r,3s,4r,5r,9s,13s,14s)-13-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2r,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
(1r,4r,13r,14s)-13-hydroxy-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
(1r,4r,13r,14s)-13-hydroxy-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
methyl (5ar,6r,7s,7as,7br,9as,12r,13as,13bs,15as,15bs)-6-(acetyloxy)-7,12,13a-trihydroxy-5a-[(1r)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
methyl (5ar,6r,7s,7as,7br,9as,12r,13as,13bs,15as,15bs)-6-(acetyloxy)-7,12,13a-trihydroxy-5a-[(1r)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1s,3r,4s,5s,9r,13s,14r)-13-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
(1s,3r,4s,5s,9r,13s,14r)-13-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
(1s,3s,4s,5r,7r,8s,9s,10s)-4-(acetyloxy)-5-hydroxy-4,10-dimethyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-8-{[(2r)-2-methylbutanoyl]oxy}-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl (2z)-2-methylbut-2-enoate
(1s,3s,4s,5r,7r,8s,9s,10s)-4-(acetyloxy)-5-hydroxy-4,10-dimethyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-8-{[(2r)-2-methylbutanoyl]oxy}-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl (2z)-2-methylbut-2-enoate
methyl 6-(acetyloxy)-7,12,13a-trihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
methyl 6-(acetyloxy)-7,12,13a-trihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate
2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
(1s,2s,4r,5r,6r,9r,10s,11r,12r,16r,18s,21r)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
(1s,2s,4r,5r,6r,9r,10s,11r,12r,16r,18s,21r)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2s,4r,5r,6r,9r,10r,11r,12r,16r,18s,21r)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
(1r,2s,4r,5r,6r,9r,10r,11r,12r,16r,18s,21r)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one
4-(acetyloxy)-5-hydroxy-4,10-dimethyl-9-[(2-methylbut-2-enoyl)oxy]-8-[(2-methylbutanoyl)oxy]-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl 2-methylbut-2-enoate
4-(acetyloxy)-5-hydroxy-4,10-dimethyl-9-[(2-methylbut-2-enoyl)oxy]-8-[(2-methylbutanoyl)oxy]-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl 2-methylbut-2-enoate
methyl 3-(acetyloxy)-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate
methyl 3-(acetyloxy)-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate
methyl (1s,2s,3s,4r,5r,8r,13s,14s,17s,18r,20r,21r,22r,25s)-3-(acetyloxy)-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate
methyl (1s,2s,3s,4r,5r,8r,13s,14s,17s,18r,20r,21r,22r,25s)-3-(acetyloxy)-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate
(2s,3as,5ar,7s,9as,11ar)-7-{[(2r,5s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(2s,3as,5ar,7s,9as,11ar)-7-{[(2r,5s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
