Classification Term: 3831

Ketals (ontology term: CHEMONTID:0004472)

Acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals." [ISBN:0967855098]

found 29 associated metabolites at family metabolite taxonomy ontology rank level.

Ancestor: Acetals

Child Taxonomies: There is no child term of current ontology term.

Spiroxamine

8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamine

C18H35NO2 (297.266765)


CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1800 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2789 CONFIDENCE standard compound; INTERNAL_ID 8403 CONFIDENCE standard compound; INTERNAL_ID 2571 CONFIDENCE standard compound; INTERNAL_ID 4019 D016573 - Agrochemicals D010575 - Pesticides

   

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 (804.4659678)


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

   

Guanadrel

2-{1,4-dioxaspiro[4.5]decan-2-ylmethyl}guanidine

C10H19N3O2 (213.1477194)


Guanadrel is a postganglionic sympathetic adrenergic antagonist that is administered orally to treat hypertension (high blood pressure). It was used in the form of its sulfate (trade name: Hylorel) but has been largely superseded by other antihypertensive agents due to its unpleasant side effect of orthostatic hypotension (i.e. dizziness when standing) (PMID: 6143629). Guanadrel both prevents noradrenaline (norepinephrine) release and depletes noradrenaline stores which effectively creates a peripheral sympathetic blockade. This serves to reduce vasoconstriction which subsequently lowers blood pressure (PMID: 3896742). C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Guanadrel is an orally active postganglionic adrenergic inhibitor of spiroketal. Guanadre can be used in anti-hypertensive studies[1].

   

Dinophysistoxin 1

3-{8-[(3E)-4-[6-(3-{3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}-1-hydroxybutyl)-8-hydroxy-7-methylidene-hexahydro-3H-spiro[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

C45H70O13 (818.481617)


Dinophysistoxin 1 is found in mollusks. Dinophysistoxin 1 is a metabolite of Dinophysis fortii. Dinophysistoxin 1 is found in scallops and mussels. Component toxin in diarrhetic shellfish poisonin D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins

   

7E-Mycosinyl acetate

(7E)-7-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-yl acetic acid

C15H12O4 (256.0735552)


7E-Mycosinyl acetate is found in herbs and spices. 7E-Mycosinyl acetate is from Chrysanthemum coronarium (chop-suey greens).

   

(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene

(2E)-2-[(4Z)-5-(Methylsulphanyl)pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H14O2S (234.0714464)


(2Z,4E)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (2Z,4E)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens

   

2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

(2E)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene

C12H12O2S (220.0557972)


2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens Isolated from Chrysanthemum coronarium (chop-suey greens). 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices.

   

Leontogenin

16,18-dihydroxy-5,7,9,13-tetramethyl-5-oxaspiro[oxane-2,6-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]nonadecane]-19-carbaldehyde

C27H42O5 (446.30320820000003)


Leontogenin is found in root vegetables. Leontogenin is a constituent of Tacca leontopetaloides (Polynesian arrowroot). Constituent of Tacca leontopetaloides (Polynesian arrowroot). Leontogenin is found in root vegetables.

   

(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene

(2E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-ene

C14H14O2 (214.09937440000002)


(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene is found in herbs and spices. (E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene is a constituent of roots of Tanacetum vulgare (tansy)

   

2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

C11H16O2 (180.1150236)


2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene is found in alcoholic beverages. 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene is a constituent of hops

   

2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene

(2E)-2-[(4Z)-5-Methanesulphinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H14O3S (250.0663614)


(7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens

   

Kamahine C

5,5-dihydroxy-4,4,8,8-tetramethyl-7-oxaspiro[bicyclo[3.2.1]octane-6,2-oxolan]-3-en-2-one

C14H20O5 (268.13106700000003)


Kamahine A is a constituent of honey from Weinmannia racemosa. Found in honey from Kamali (Weinmannia racemosa)

   

Talaromycin A

9-Ethyl-4-hydroxy-1,7-dioxaspiro[5.5]undecane-3-methanol, 9ci

C12H22O4 (230.1518012)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Talaromycin D is a mycotoxin from Talaromyces stipitatu Mycotoxin from Talaromyces stipitatus.

   

2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene

C11H18O2 (182.1306728)


2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene is found in alcoholic beverages. 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene is a constituent of hops

   

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 (804.4659678)


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

   

Austalide B

2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-11-one

C26H34O8 (474.2253564)


Austalide B is a mycotoxin of. of the food storage mould Aspergillus ustu

   

6-Methyl-5-hepten-2-one propyleneglycol acetal

2,4-dimethyl-2-(4-methylpent-3-en-1-yl)-1,3-dioxolane

C11H20O2 (184.14632200000003)


6-Methyl-5-hepten-2-one propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone

2,3-Diacetyl-3 alpha,5,6,6 alpha-tetrahydro-6 alpha-hydroxy-2,3 alpha,5-trimethylfuro(2,3-D)-1,3-dioxile

C12H18O6 (258.11033280000004)


1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

2,2,4-Trimethyl-1,3-dioxolane

Acetone propylene glycol acetal

C6H12O2 (116.08372519999999)


(±)-2,2,4-Trimethyl-1,3-dioxolane is found in garden tomato. (±)-2,2,4-Trimethyl-1,3-dioxolane is detected in commercial beef flavours, believed to be formed from 1,2-propanediol additive. (±)-2,2,4-Trimethyl-1,3-dioxolane is present in tomato aroma. (±)-2,2,4-Trimethyl-1,3-dioxolane is a flavouring ingredient. It is used as a food additive

   

1,2-O-Isopropylidene-D-glucofuranose

1-{6-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl}ethane-1,2-diol

C9H16O6 (220.0946836)


   
   

Therafectin

1-[6-[3-(Dimethylamino)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

C14H27NO6 (305.1838282)


   

Nigericin

2-(6-{[2-(5-{5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl}-5-methyloxolan-2-yl)-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-3-methyloxan-2-yl)propanoic acid

C40H68O11 (724.4761378000001)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3682 D049990 - Membrane Transport Modulators D007476 - Ionophores

   

Solketal

2,2-Dimethyl-1,3-dioxolane-4-methanol, monosodium salt

C6H12O3 (132.0786402)


   

o-Raffinose

1,3,12-tris(hydroxymethyl)-2,4,6,9,11-pentaoxadodecane-1,3,5,7,10,12-hexacarbaldehyde

C16H22O14 (438.1009512)


   

4-Deoxy-2,3-dihydromycosinol

2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

C13H12O2 (200.0837252)


4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.

   

2-Nonanone propyleneglycol acetal

2-heptyl-2,4-dimethyl-1,3-dioxolane

C12H24O2 (200.1776204)


It is used as a food additive .

   

Sodium zinc metasilicate

Sodium zinc metasilicic acid

C9H18O2 (158.1306728)


It is used as a food additive .

   

(7E)-4-Deoxy-2,3-dihydromycosinol

(2E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

C13H12O2 (200.0837252)


(7e)-4-deoxy-2,3-dihydromycosinol, also known as tonghaosu, is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (7e)-4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (7e)-4-deoxy-2,3-dihydromycosinol can be found in german camomile, which makes (7e)-4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.