Exact Mass: 222.1023
Exact Mass Matches: 222.1023
Found 500 metabolites which its exact mass value is equals to given mass value 222.1023,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diethyl phthalic acid
Diethyl phthalic acid, also known as diethyl phthalate, 1,2-diethyl phthalic acid or 1,2-benzenedicarboxylic acid diethyl ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Diethyl phthalic acid is considered to be practically insoluble (in water) and basic. This substance is commonly used to make plastics more flexible. Products in which it is found include toothbrushes, automobile parts, tools, toys, and food packaging. Diethyl phthalic acid can be released fairly easily from these products, as it is not part of the chain of chemicals (polymers) that makes up the plastic. Diethyl phthalic acid is also used in cosmetics, insecticides, and aspirin. Phthalate esters can cause reproductive and developmental toxicity. (L1900, A2883) It is a non-carcinogenic (not listed by IARC) potentially toxic compound. (ChemoSummarizer) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3672 Same as: D03804
3-Isobutyl-1-methylxanthine
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
Buthionine sulfoximine
Buthionine Sulfoximine is a synthetic amino acid. Buthionine sulfoximine irreversibly inhibits gamma-glutamylcysteine synthase, thereby depleting cells of glutathione, a metabolite that plays a critical role in protecting cells against oxidative stress, and resulting in free radical-induced apoptosis. Elevated glutathione levels are associated with tumor cell resistance to alkylating agents and platinum compounds. By depleting cells of glutathione, this agent may enhance the in vitro and in vivo cytotoxicities of various chemotherapeutic agents in drug-resistant tumors. Buthionine sulfoximine may also exhibit antiangiogenesis activity. (NCI04) D020011 - Protective Agents > D011837 - Radiation-Protective Agents D009676 - Noxae > D000963 - Antimetabolites D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Buthionine sulfoximine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5072-26-4 (retrieved 2024-09-04) (CAS RN: 5072-26-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Apiole
Apiole is found in dill. Apiole occurs in Sassafras albidum (sassafras) and Anethum graveolens (dill) Apiol is an organic chemical compound, also known as parsley apiol, apiole or parsley camphor. It is found in celery, parsley seeds, and the essential oil of parsley. Heinrich Christoph Link, an apothecary in Leipzig, discovered the substance in 1715 as greenish crystals reduced by steam from oil of parsley. In 1855 Joret and Homolle discovered that apiol was an effective treatment of amenorrea or lack of menstruation. In medicine it has been used, as essential oil or in purified form, for the treatment of menstrual disorders. It is an irritant and in high doses it is toxic and can cause liver and kidney damage. Occurs in Sassafras albidum (sassafras) and Anethum graveolens (dill)
Dillapiol
Dillapiol is found in coriander. Dillapiol is a constituent of Japanese, Indian (Anethum sowa) and European (Anethum graveolens) dill oils and Piper species Also from seeds of Bunium persicum (black caraway) Dillapiole is an organic chemical compound and essential oil commonly extracted from dill weed, though can be found in a variety of other plants Constituent of Japanese, Indian (Anethum sowa) and European (Anethum graveolens) dill oils and Piper subspecies Also from seeds of Bunium persicum (black caraway)
coniferyl acetate
An acetate ester obtained via formal condensation of the allylic hydroxy function of coniferol with acetic acid.
Monobutylphthalate
Monobutyl phtalate is a metabolite of di(n-butyl)phthalate.Women of reproductive age (20-40 years) were found to have significantly higher. Isolated from maize kernels (Zea mays). MBP 1 is found in cereals and cereal products. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2]. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2].
Monoisobutyl phthalic acid
Monoisobutyl phthalic acid is a phthalate metabolite that has been found in human meconium and in semen (PMID: 16970347), saliva (PMID: 15995852), and urine (PMID: 15113553). Phthalate esters are a family of multifunctional compounds widely used as plasticizers, solvents, or additives in many diverse products such as poly(vinyl chloride) (PVC) materials, pharmaceuticals and medical devices, pesticides, lubricants, and personal care products. Humans have been exposed to phthalates through the manufacture, ubiquitous use, and disposal of PVC materials and other phthalate-containing products. (PMID: 16970347). Monoisobutyl phthalic acid is a phthalate metabolite that has been found in human meconium and in semen (PMID: 16970347), saliva (PMID: 15995852), and urine (PMID: 15113553).
Glycylphenylalanine
Glycyl-Phenylalanine is a dipeptide composed of glycine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Dihydrodeoxy-8-epiaustdiol
Dihydrodeoxy-8-epiaustdiol is a mycotoxin produced by the food storage mould (Aspergillus ustus
Isopropyl beta-D-glucoside
Isopropyl beta-D-glucoside is found in herbs and spices. Isopropyl beta-D-glucoside is present in fenne Present in fennel. Isopropyl beta-D-glucoside is found in herbs and spices.
(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal
(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices. (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is isolated from the rhizomes of Acorus calamus (sweet flag). Isolated from the rhizomes of Acorus calamus (sweet flag). (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices and root vegetables.
Isodillapiole
Present in Crithmum maritimum (rock samphire). Isodillapiole is found in dill and green vegetables. Isodillapiole is found in dill. Isodillapiole is present in Crithmum maritimum (rock samphire
5-(3,4-Methylenedioxyphenyl)pentanoic acid
5-(3,4-Methylenedioxyphenyl)pentanoic acid is found in herbs and spices. 5-(3,4-Methylenedioxyphenyl)pentanoic acid is isolated from fruits of Piper longum (long pepper). Isolated from fruits of Piper longum (long pepper). 5-(3,4-Methylenedioxyphenyl)pentanoic acid is found in herbs and spices.
Phenylalanylglycine
Phenylalanylglycine is a dipeptide composed of phenylalanine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone
5-(3-methoxy-4-hydroxyphenyl)-gamma-valerolactone is a cocoa metabolite from gut microflora. It is found in urine. A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Piperonyl isobutyrate
Piperonyl isobutyrate is a flavouring ingredient, not reported in nature. Flavouring ingredient, not reported in nature
Vanillin isobutyrate
Vanillin isobutyrate is a flavouring ingredient. Flavouring ingredient
2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one
2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms. 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is isolated from the mushroom Lentinus crinitus (palatability uncertain). Isolated from the mushroom Lentinus crinitus (palatability uncertain). 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms.
(2R)-2-Amino-4-(amino-butyl-oxo-lambda6-sulfanylidene)butanoic acid
3-Methyl-1-(2-methylpropyl)-7H-purine-2,6-dione
3,7-Dihydro-8-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
Morinamide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
3-Methyl-8-(2-methylpropyl)-7H-purine-2,6-dione
9-Methyl-3-(2-methylpropyl)purine-2,6-dione
3-Methyl-9-(2-methylpropyl)purine-2,6-dione
coniferyl acetate
Coniferyl acetate is also known as coniferyl acetic acid. Coniferyl acetate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coniferyl acetate can be found in a number of food items such as endive, enokitake, black huckleberry, and devilfish, which makes coniferyl acetate a potential biomarker for the consumption of these food products.
5B8915UELW
Ethyl ferulate is a natural product found in Tocoyena formosa, Coptis japonica, and other organisms with data available. C26170 - Protective Agent > C275 - Antioxidant Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].
Ethyl
Ethyl ferulate is a natural product found in Tocoyena formosa, Coptis japonica, and other organisms with data available. C26170 - Protective Agent > C275 - Antioxidant Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].
Ethyl ferulate
Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].
3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
2-Isopropyl-3-acetoxy-5-methyl-2,5-cyclohexadiene-1,4-dione
2,4,6-Tri-O-methyl-D-glucopyranose|2,4,6-tri-O-methyl-D-glucose|2,4,6-tri-O-methylglucopyranose|2,4,6-tri-O-methylglucose|2,4,6-trimethyl-D-glucose|O2,O4,O6-trimethyl-D-glucose
3,4-dimethoxy-6-(methoxymethyl)-tetrahydro-2h-pyran-2,5-diol
2,3-Dihydro-5,7-dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one
3-Ethyl-5,7-dihydroxy-3,6-dimethyl-1(3H)-isobenzofuranone
2-(1-Hydroxy-1-methylethyl)-2,3-dihydrobenzofuran-5-carboxylic acid
(3xi,10R)-3,10-Dihydroxy-11-dodecene-6,8-diynoic acid
2,3-Dihydro-2-(1,2-dihydroxy-1-methylethyl)-5-benzofurancarbaldehyde
3,4-Dihydro-8-hydroxy-6-methoxy-3,5-dimethyl-1H-2-benzopyran-1-one
3-(2-hydroxypropyl)-8-hydroxyl-3,4-dihydroisocoumarin
4,7-Dimethoxy-5-(prop-1-en-1-yl)-2H-1,3-benzodioxole
3,4-Dihydro-8-hydroxy-7-(hydroxymethyl)-3,4-dimethyl-1H-2-benzopyran-1-one
rel-(3R,4S)-6,8-dihydroxy-3,4-dihydro-3,4,7-trimethylisocoumarin
3,4-Dihydro-6-hydroxy-8-methoxy-3,5-dimethyl-1H-2-benzopyran-1-one
(4E)-4-<(4-hydroxy-3-methyl-2-butenyl)oxy>benzoic acid|(4E)-4-[(4-hydroxy-3-methyl-2-butenyl)oxy]benzoic acid
4,5-dimethoxy-2,3-methylenedioxy-1-propenylbenzene
(E)-4-methoxy-3-methyl-6-(4-oxopent-2-en-2-yl)-2H-pyran-2-one|phomapyrone D
5,7-dihydroxy-2,2,6-trimethylchroman-4-one|pallidol
4-Methoxy-6-(1-methoxy-2-propenyl)-1,3-benzodioxole
5-hydroxy-3-[(3R)-hydroxybutyl]-isobenzofuran-1(3H)-one
(R)-3-hydroxy-1-[(R)-4-hydroxy-1,3-dihydroxyisobenzofuran-1-yl]butan-2-one
aconicaramide|N-(L-prolyl)-5-hydroxymethyl-1H-pyrrole-2-carbaldehyde
3,4,6-Tri-Me-Glc|3,4,6-tri-O-methyl-D-glucose|3,4,6-tri-O-methylglucose|D-gluco-2,5-Dihydroxy-3,4,6-trimethoxy-hexanal|O3,O4,O6-trimethyl-D-glucose
2,4,6-Tri-O-methyl-mannose|2.4.6-Tri-O-methyl-D-mannose|D-manno-3,5-Dihydroxy-2,4,6-trimethoxy-hexanal|O2,O4,O6-trimethyl-D-mannose
2,3,4,-Tri-O-methyl-D-galactose|2,3,4-Tri-O-methyl-D-galactopyranose|2,3,4-tri-O-methyl-D-galactose|2,3,4-Tri-O-methyl-D-galaktose|2,3,4-Tri-O-methylgalactose|O2,O3,O4-trimethyl-D-galactose
Benzeneacetaldehyde, .alpha.-(2-phenylethylidene)-
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
Gly-phe
A dipeptide formed from glycine and L-phenylalanine residues.
Phe-gly
A dipeptide formed from L-phenylalanine and glycine residues.
2-Methyl-2-propanyl 3-(methylamino)-1-azetidinecarboxylate hydroc hloride (1:1)
Thiourea, N-(aminoiminomethyl)-N-methyl-N-(2-methylphenyl)- (9CI)
tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride
tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate hydrochloride
Ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
(Azetidin-3-yl)(methyl)carbamic acid tert-butyl ester hydrochloride
(2S,3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride
7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2-CARBOXYLICACIDMETHYLESTER
2-Propanamine,2-methyl-N-[(4-nitrophenyl)methylene]-, N-oxide
(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride
Detomidine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Detomidine hydrochloride, an imidazole derivative, is a potent α2-adrenergic agonist. Detomidine hydrochloride produces dose-dependent analgesic effects[1][2].
3,5-Heptanedione,2,2,6,6-tetramethyl-, ion(1-), potassium (1:1)
2,2,5,5-tetramethyl-3-imidazoline-1-oxyl-carboxylic acid, sodium salt, free radical
tetrahydro-3,3,5,5-tetrakis(hydroxymethyl)pyran-4-ol
1-(TRIFLUOROMETHYL)VINYL BORONIC ACID HEXYLENE GLYCOL ESTER
(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride
1-Allyl-3-vinyl-1H-imidazol-3-ium tetrafluoroborate
tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride
2,7-dicyano-2,7-dimethyl-3,6-diazaocta-3,5-dien-3,6-dioxide
l-Buthionine sulfoximine
C471 - Enzyme Inhibitor > C2130 - Gamma-Glutamylcysteine Synthetase Inhibitor
(3-((Tetrahydro-2H-pyran-2-yl)oxy)phenyl)boronic acid
2-AMINO-2-METHYL-(3-(3,4-METHYLENEDIOXYPHENYL))PROPANAMIDE
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-(1,1-dimethylethyl)-5-Methyl-
2-[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]acetic acid
2-(4-CHLOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE
2-(4-MORPHOLINYL)-PYRIDINE-4-CARBOXYLIC ACID METHYL ESTER
ethyl 4-(methylamino)piperidine-1-carboxylate,hydrochloride
2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
10-chloro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
1,3-dioxolane-4-acetic acid, 2-phenyl-, methyl ester, (s)
N-[2-[(2-HYDROXYETHYL)AMINO]-2-OXOETHYL]BENZENECARBOXAMIDE
2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-7-hydroxy-, ethyl ester
(3-FORMYL-2-ISOPROPOXY-5-METHYLPHENYL)BORONIC ACID
(6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
3-Methylbenzylsuccinic acid
A dicarboxylic acid consisting of succinic acid carrying a 3-methylbenzyl group at position 2.
Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, ethyl ester
Ethanone, 1-[5-methyl-2-[(trimethylsilyl)oxy]phenyl]-
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8-tetrahydro-1,6-dimethyl-4-oxo-
Ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
3-Carboxymethyl-6-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
3-Isobutyl-1-methylxanthine
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
morinamide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
AI3-23714
C26170 - Protective Agent > C275 - Antioxidant Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].
34-74-2
Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2]. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2].
valerylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(2E,4E,8E,10E)-dodecatetraenedioic acid
A dodecatetraenedioic acid with double bonds at positions 2, 4, 8, and 10 (all E isomer).
2,3,4-Trihydroxy-5-(2-methylpropylsulfanyl)pentanal
(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one
A natural product found in Pestalotiopsis virgatula.
(R)-3-Hydroxy-1-[(R)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one
A natural product found in Pestalotiopsis virgatula.
2-Amino-4-(2-aminophenyl)-2-methyl-4-oxobutanoic acid
BUTHIONINE SULFOXIMINE
D020011 - Protective Agents > D011837 - Radiation-Protective Agents D009676 - Noxae > D000963 - Antimetabolites D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
N(5)-phenyl-L-glutamine
An L-glutamine derivative obtained by the formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of aniline.
2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol
2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one
N(5)-phenyl-L-glutamine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of N(5)-phenyl-L-glutamine; major species at pH 7.3.
1-O-isopropyl-beta-D-glucopyranoside
A natural product found in Citrus hystrix.
Gly-Phe zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Phe.
S-butyl-DL-homocysteine (S,R)-sulfoximine
A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.
(3s)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-7-carbaldehyde
4-{[(3s,5r)-2-oxo-5-(prop-1-en-2-yl)oxolan-3-yl]methyl}-5h-furan-2-one
(3s)-8-hydroxy-7-methoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one
(2s,3s)-2-ethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
(3r)-7-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one
(2s)-2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-ol
3-ethyl-5,7-dihydroxy-3,6-dimethyl-2-benzofuran-1-one
(3r)-5,8-dihydroxy-3-propyl-3,4-dihydro-2-benzopyran-1-one
4,8-dihydroxy-6-methoxy-7-methyl-3,4-dihydro-2h-naphthalen-1-one
1-(3-methylbut-2-en-1-yl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-ene-3-carboxylic acid
8-hydroxy-7-methoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one
methyl (2e)-4-(4-hydroxy-3-methoxyphenyl)but-2-enoate
6,8-dihydroxy-3,4,7-trimethyl-3,4-dihydro-2-benzopyran-1-one
4,5-dimethoxy-6-(prop-1-en-1-yl)-2h-1,3-benzodioxole
(2r,3s,4s,5r,6r)-3,4-dimethoxy-6-(methoxymethyl)oxane-2,5-diol
5,7-dimethoxy-2-methyl-2,3-dihydro-1-benzopyran-4-one
(3r,4s)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-1-one
4,5-dimethoxy-7-(prop-1-en-1-yl)-2h-1,3-benzodioxole
(2s)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
4,7-Dihydroxy-3-butylphthalide
{"Ingredient_id": "HBIN010093","Ingredient_name": "4,7-Dihydroxy-3-butylphthalide","Alias": "3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one; AC1NSUMB; 4,7-dihydroxy-3-butylphthalide","Ingredient_formula": "C12H14O4","Ingredient_Smile": "CCCCC1C2=C(C=CC(=C2C(=O)O1)O)O","Ingredient_weight": "222.26","OB_score": "106.0864703","CAS_id": "NA","SymMap_id": "SMIT01029","TCMID_id": "5781","TCMSP_id": "MOL002178","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,6,7-Trimethoxy-1-indanone
{"Ingredient_id": "HBIN011117","Ingredient_name": "5,6,7-Trimethoxy-1-indanone","Alias": "NA","Ingredient_formula": "C12H14O4","Ingredient_Smile": "COC1=C(C(=C2C(=C1)CCC2=O)OC)OC","Ingredient_weight": "222.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40860","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "610210","DrugBank_id": "NA"}
