Exact Mass: 804.4577

Exact Mass Matches: 804.4577

Found 18 metabolites which its exact mass value is equals to given mass value 804.4577, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Okadaic acid

(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2R,4R,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5-oxolane]-2-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid

C44H68O13 (804.466)

Okadaic acid is found in mollusks. Okadaic acid is found in the marine sponges Halichondria okadai and Halichondria melanodocia and shellfish. It is a metabolite of Prorocentrum lima. It is a diarrhetic shellfish toxin. Okadaic acid is a toxin that accumulates in bivalves and causes diarrhetic shellfish poisoning. The molecular formula of okadaic acid, which is a derivative of a C38 fatty acid, is C44H68O13. The IUPAC name of okadaic acid is (2R)-2-hydroxy-3-{(2S,5R,6R,8S)-5-hydroxy-[(1R,2E)-3-((2R,5R,6S,8R,8aS)-8-hydroxy-6-{(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7-methyleneoctahydro-3H,3H-spiro[furan-2,2-pyrano[3,2-b]pyran]-5-yl)-1-methylprop-2-en-1-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid. Okadaic acid was named from the marine sponge Halichondria okadai, from which okadaic acid was isolated for the first time. It has also been isolated from another marine sponge, H. malanodocia, as a cytotoxin. The real producer of okadaic acid is a marine dinoflagellate D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors D007476 - Ionophores

Dinophysistoxin 2

2-hydroxy-3-{5-hydroxy-8-[(3E)-4-[8-hydroxy-6-(1-hydroxy-3-{11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7-methylidene-hexahydro-3H-spiro[oxolane-2,2-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid

C44H68O13 (804.466)

Dinophysistoxin 2 is found in mollusks. Dinophysistoxin 2 is a metabolite of Dinophysis species. Metabolite of Dinophysis subspecies Dinophysistoxin 2 is found in mollusks. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins

okadaic acid

(2R)-3-[(2S,6R,8S,11R)-2-[(2R)-4-[(2S,2R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5-oxolane]-2-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid

C44H68O13 (804.466)

D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors D007476 - Ionophores A polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells.

C40H68O16

C40H68O16 (804.4507)

ent-14-labden-8beta-ol 13alpha-O-[beta-D-quinovopyranosyl-(1->2)-3-O-acetyl-alpha-L-rhamnopyranosyl]-19-O-alpha-L-rhamnopyranoside

C40H68O16 (804.4507)

A ketal that is a rare marine toxin structurally related to okadaic acid. Found yearly along with okadaic acid in Portuguese shellfish, its presence has been correlated with the occurrence of Dinophysis acta. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins

PG 18:4/20:5;O

C44H69O11P (804.4577)

PG 38:9;O

C44H69O11P (804.4577)

2-hydroxy-3-(5-hydroxy-8-{4-[8'-hydroxy-6'-(1-hydroxy-3-{3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid

2-hydroxy-3-(5-hydroxy-8-{4-[8'-hydroxy-6'-(1-hydroxy-3-{3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid

C44H68O13 (804.466)

2-hydroxy-3-{5-hydroxy-8-[(3e)-4-[8'-hydroxy-6'-(1-hydroxy-3-{11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid

2-hydroxy-3-{5-hydroxy-8-[(3e)-4-[8'-hydroxy-6'-(1-hydroxy-3-{11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid

C44H68O13 (804.466)

(2s,3r,4r,5s,6s)-2-{[(3s)-5-[(1s,2r,4as,5r,8ar)-2-hydroxy-2,5,8a-trimethyl-5-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl acetate

(2s,3r,4r,5s,6s)-2-{[(3s)-5-[(1s,2r,4as,5r,8ar)-2-hydroxy-2,5,8a-trimethyl-5-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl acetate

C40H68O16 (804.4507)

1-{5-[({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)methyl]-6-methylhept-3-en-2-yl}-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexol

1-{5-[({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)methyl]-6-methylhept-3-en-2-yl}-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexol

C40H68O16 (804.4507)

(1r,2r,3s,3as,3bs,5s,5as,6r,7s,9as,9br,11ar)-1-[(2r,3e,5s)-5-({[(2r,3r,4s,5s)-3-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-5-[(1r)-1,2-dihydroxyethyl]-4-hydroxyoxolan-2-yl]oxy}methyl)-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexol

(1r,2r,3s,3as,3bs,5s,5as,6r,7s,9as,9br,11ar)-1-[(2r,3e,5s)-5-({[(2r,3r,4s,5s)-3-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-5-[(1r)-1,2-dihydroxyethyl]-4-hydroxyoxolan-2-yl]oxy}methyl)-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexol

C40H68O16 (804.4507)

3-hydroxy-6-{[5-(2-hydroxy-2,5,8a-trimethyl-5-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-2-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate

3-hydroxy-6-{[5-(2-hydroxy-2,5,8a-trimethyl-5-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-2-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate

C40H68O16 (804.4507)

(2r)-3-[(2s,5r,6r,8s)-8-[(2r,3e)-4-[(2r,4'ar,5r,6's,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(2s,3r,6r)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid

(2r)-3-[(2s,5r,6r,8s)-8-[(2r,3e)-4-[(2r,4'ar,5r,6's,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(2s,3r,6r)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid

C44H68O13 (804.466)