Classification Term: 987

Isobenzofurans (ontology term: CHEMONTID:0003408)

Organic aromatic compounds containing an isobenzofuran moiety." []

found 24 associated metabolites at class metabolite taxonomy ontology rank level.

Ancestor: Organoheterocyclic compounds

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

Ligusticide

3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-;(3Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one

C12H14O2 (190.09937440000002)


Ligusticide, also known as ligustilide, (E)-isomer or (Z)-ligustilide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Ligusticide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ligusticide can be found in lovage, which makes ligusticide a potential biomarker for the consumption of this food product. (Z)-ligustilide is a butenolide. It has a role as a metabolite. Ligustilide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available.

   

Neocnidolide

1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aR)-

C12H18O2 (194.1306728)


Neocnidolide, also known as neocnidilide, cis-(-)-isomer or sedanolide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Neocnidolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Neocnidolide can be found in dill, which makes neocnidolide a potential biomarker for the consumption of this food product. Neocnidilide is a gamma-lactone. Neocnidilide is a natural product found in Petroselinum crispum and Apium graveolens with data available.

   

Cnidilide

(3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one

C12H18O2 (194.1306728)


Cnidilide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Cnidilide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cnidilide can be found in wild celery, which makes cnidilide a potential biomarker for the consumption of this food product.

   

Neocnidilide

1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aR)-

C12H18O2 (194.1306728)


Sedanolide is a member of 2-benzofurans. Sedanolide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. Constituent of celery oil. Neocnidilide is found in many foods, some of which are dill, coriander, wild celery, and green vegetables. Neocnidilide is found in coriander. Neocnidilide is a constituent of celery oil Sedanolide, a natural compound occurring in edible umbelliferous plants, possesses anti-inflammatory and antioxidant activities[1][2]. Sedanolide, a natural compound occurring in edible umbelliferous plants, possesses anti-inflammatory and antioxidant activities[1][2].

   

Ligustilide

(3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one

C12H14O2 (190.09937440000002)


Constituent of Angelica subspecies Ligustilide is found in wild celery, lovage, and herbs and spices. Ligustilide is found in herbs and spices. Ligustilide is a constituent of Angelica specie

   

Canescein

7,11,17-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde

C29H42O11 (566.2726982)


Canescein is isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the US

   

Angeloylsenkyunolide F

1-[(1E)-3-oxo-1,3,6,7-Tetrahydro-2-benzofuran-1-ylidene]butan-2-yl (2E)-2-methylbut-2-enoic acid

C17H20O4 (288.13615200000004)


Angeloylsenkyunolide F is found in green vegetables. Angeloylsenkyunolide F is a constituent of Angelica acutiloba (Dong Dang Gui). Constituent of Angelica acutiloba (Dong Dang Gui). Angeloylsenkyunolide F is found in green vegetables.

   

3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone

6-(1-Hydroxy-3-methyl-1-butenyl)-1,3-cyclohexadiene-1-carboxylic acid g-lactone

C12H14O2 (190.09937440000002)


3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is found in green vegetables. 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is a odorous constituent of celer Odorous constituent of celery. 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is found in wild celery and green vegetables.

   

3-Isovalidene-3alpha,4-dihydrophthalide

(3Z)-3-(3-methylbutylidene)-1,3,3a,4-tetrahydro-2-benzofuran-1-one

C13H16O2 (204.1150236)


3-Isovalidene-3alpha,4-dihydrophthalide is found in green vegetables. 3-Isovalidene-3alpha,4-dihydrophthalide is a odorous constituent of celery stem and leaf (Apium graveolens Odorous constituent of celery stem and leaf (Apium graveolens). 3-Isovalidene-3alpha,4-dihydrophthalide is found in wild celery and green vegetables.

   

Angelicolide

3,4-dipropyl-6,6,7,7-tetrahydro-3H,3H-dispiro[2-benzofuran-1,1-cyclobutane-2,1-[2]benzofuran]-3,3-dione

C24H28O4 (380.19874880000003)


Angelicolide is found in herbs and spices. Angelicolide is a constituent of roots of Angelica glauca

   

(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone

(3xi,3ax,7ax)-3-Butylhexahydro-1(3H)-isobenzofuranone

C12H20O2 (196.14632200000003)


(3xi,3ax,7ax)-3-Butylhexahydro-1(3H)-isobenzofuranone is found in green vegetables. (3xi,3ax,7ax)-3-Butylhexahydro-1(3H)-isobenzofuranone is a constituent of Apium graveolens, and black salsify (Scorzonera hispanica). Constituent of Apium graveolens, and black salsify (Scorzonera hispanica). (3xi,3ax,7ax)-3-Butylhexahydro-1(3H)-isobenzofuranone is found in green vegetables.

   

Anethofuran

2,3,3a,4,5,7a-hexahydro-3,6-Dimethylbenzofuran, 9ci

C10H16O (152.12010859999998)


Isolated from the leaf oil of Anethum graveolens (dill) [CCD]. Anethofuran is found in dill and herbs and spices. Anethofuran is found in dill. Anethofuran is isolated from the leaf oil of Anethum graveolens (dill).

   

Hexahydro-4-methylphthalic anhydride

4-Methylcyclohexyl-1,6-dicarboxylic acid anhydride

C9H12O3 (168.0786402)


   

3-Methyltetrahydrophthalic anhydride

4-methyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran-1,3-dione

C9H10O3 (166.062991)


   

Pyromellitic dianhydride

5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone

C10H2O6 (217.9851392)


   

Hexahydrophthalic anhydride

Cyclohexane-1,2-dicarboxylic acid anhydride

C8H10O3 (154.062991)


D019141 - Respiratory System Agents > D016085 - Bronchoconstrictor Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D001697 - Biomedical and Dental Materials

   

Methylhexahydrophthalic anhydride

Methyl-1,2-cyclohexanedicarboxylic anhydride

C9H12O3 (168.0786402)


   

1,2,3,6-Tetrahydromethylphthalic anhydride

2-Methyl-3-(2,4,5-trihydroxyphenyl)alanine hydrochloride, (DL-tyr)-isomer

C9H10O3 (166.062991)


   

Senkyunolide

(3S)-3-BUTYL-4,5-DIHYDRO-2-BENZOFURAN-1(3H)-ONE

C12H16O2 (192.1150236)


3-n-butyl-4,5-dihydrophthalide, also known as nbpa or sedanenolide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. 3-n-butyl-4,5-dihydrophthalide is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-n-butyl-4,5-dihydrophthalide is a herbal tasting compound found in dill, lovage, parsley, and wild celery, which makes 3-n-butyl-4,5-dihydrophthalide a potential biomarker for the consumption of these food products.

   

senkyunolide I

3-butylidene-6,7-dihydroxy-1,3,4,5,6,7-hexahydro-2-benzofuran-1-one

C12H16O4 (224.10485359999998)


   

3-Butylidene-4,5-dihydrophthalide

3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one

C12H14O2 (190.09937440000002)


   

Sedanonic anhydride

(3E)-3-butylidene-1,3,4,5,6,7-hexahydro-2-benzofuran-1-one

C12H16O2 (192.1150236)


Sedanonic anhydride is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Sedanonic anhydride is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sedanonic anhydride can be found in wild celery, which makes sedanonic anhydride a potential biomarker for the consumption of this food product.

   

Senkyunolide N

(3R,6S,7S)-3-Butyl-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one

C12H18O4 (226.1205028)


Senkyunolide j is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Senkyunolide j is soluble (in water) and a very weakly acidic compound (based on its pKa). Senkyunolide j can be found in wild celery, which makes senkyunolide j a potential biomarker for the consumption of this food product.

   

Validene 4,5-dihydrophthalide

(3Z)-3-pentylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one

C13H16O2 (204.1150236)


Validene 4,5-dihydrophthalide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Validene 4,5-dihydrophthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Validene 4,5-dihydrophthalide can be found in lovage, which makes validene 4,5-dihydrophthalide a potential biomarker for the consumption of this food product.