Chemical Formula: C12H14O2
Chemical Formula C12H14O2
Found 165 metabolite its formula value is C12H14O2
(S)-3-Butyl-1(3H)-isobenzofuranone
Butylphthalide is a member of benzofurans. Butylphthalide has been used in trials studying the prevention of Restenosis. Butylphthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Celery Seed (part of); Angelica sinensis root oil (part of). Potential nutriceutical. 3-Butyl-1(3H)-isobenzofuranone is found in many foods, some of which are dill, parsley, lovage, and wild celery. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents 3-Butyl-1(3H)-isobenzofuranone is found in dill. Potential nutriceutical. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020011 - Protective Agents Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models. Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models.
Ligusticide
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.
Propyl cinnamate
Propyl cinnamate is a flavouring ingredient. Flavouring ingredient
Ligustilide
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
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
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.
(R)-3,7-Dimethyl-5-indanecarboxylic acid
(R)-3,7-Dimethyl-5-indanecarboxylic acid is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
Benzyl trans-2-methyl-2-butenoate
Benzyl trans-2-methyl-2-butenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-(4-Methoxyphenyl)-1-penten-3-one
1-(4-Methoxyphenyl)-1-penten-3-one is a flavouring ingredien Flavouring ingredient
Prenyl benzoate
Prenyl benzoate belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Prenyl benzoate is a balsam, chocolate, and fruity tasting compound. Prenyl benzoate is used as a food additive (EAFUS: Everything Added to Food in the United States).
Benzyl tiglate
Benzyl tiglate is found in cloves. Benzyl tiglate is a flavouring agent. Flavouring agent. Benzyl tiglate is found in cloves.
Isopropyl cinnamate
Isopropyl cinnamate is a flavouring ingredient. Flavouring ingredient
Cinnamyl propionate
Cinnamyl propionate is used in fruit food flavouring. It is used in fruit food flavouring
3,4-Dihydro-5-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
1-hydroxy-2-hydroxymethyl-3-pent-1,3-dienylbenzene
2-hydroxy-5-methyl-5,8-epoxy-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene|bruguierol A
4-hydroxy-4,6-dimethyl-1-tetralone|4-hydroxy-4,7-dimethyl-1-tetralone
2-Decene-4,6-diyn-1-ol-Ac|Lachnophyllol acetate|Lachnophyllolacetat
3,4-Dihydro-4-hydroxy-3,6-dimethyl-1(2H)-naphthalenone
3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
3,4-Dihydro-4-hydroxy-2,7-dimethyl-1(2H)-naphthalenone
deca-4,6-diyn-2(Z)-enoic acid ethyl ester|lachnophyllum ethyl ester
10-acetoxy-deca-2t,4t,8t-trien-6-yne|2,6,8-Decatrien-4-yn-1-ol-Ac|Decatrien-(2,6,8)-in-(4)-ol-(1)-acetat
Ligustilide
1-(4-Methoxyphenyl)-1-pentene-3-one
CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8827; ORIGINAL_PRECURSOR_SCAN_NO 8825 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8855; ORIGINAL_PRECURSOR_SCAN_NO 8853 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8873; ORIGINAL_PRECURSOR_SCAN_NO 8871 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8908; ORIGINAL_PRECURSOR_SCAN_NO 8907 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8924; ORIGINAL_PRECURSOR_SCAN_NO 8921
3-Isobutylidene-3a,4-dihydrophthalide
1H-Inden-1-one,6-ethyl-2,3-dihydro-5-methoxy-(9CI)
2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one
3-METHOXY-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBALDEHYDE
1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-, Methyl ester
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBALDEHYDE
1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
1-(4-hydroxy-7-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
4-METHOXY-5,6,7,8-TETRAHYDRO-1-NAPHTHALENE-CARBALDEHYDE
6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
Cyclopropanecarboxylicacid, 2-phenyl-, ethyl ester, (1R,2R)-rel-
(1R,2R)-rel-(-)-2-(2,3-Dihydro-4-benzofuranyl)cyclopropanemethanol
1H-Inden-1-one,2,3-dihydro-5-(1-methylethoxy)-(9CI)
1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
2,3,3a,6,7,8a-Hexahydro-3a,8a-methano-1H-dicyclopenta[b,e]pyran-8(5H)-one
Ligusticide
(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. A natural product found in Ligusticum porteri.
Precocene I
A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2.