Exact Mass: 250.11987440000001
Exact Mass Matches: 250.11987440000001
Found 335 metabolites which its exact mass value is equals to given mass value 250.11987440000001,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
METHAQUALONE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Diisopropylphthalate
CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9428 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4533; ORIGINAL_PRECURSOR_SCAN_NO 4530 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9444 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4512; ORIGINAL_PRECURSOR_SCAN_NO 4510 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9458; ORIGINAL_PRECURSOR_SCAN_NO 9456 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4593 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9380; ORIGINAL_PRECURSOR_SCAN_NO 9378 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4513 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9407; ORIGINAL_PRECURSOR_SCAN_NO 9402 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4506; ORIGINAL_PRECURSOR_SCAN_NO 4505 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4506; ORIGINAL_PRECURSOR_SCAN_NO 4504 CONFIDENCE standard compound; INTERNAL_ID 196
Dipropylphthalate
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9488; ORIGINAL_PRECURSOR_SCAN_NO 9483 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4235; ORIGINAL_PRECURSOR_SCAN_NO 4230 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4278; ORIGINAL_PRECURSOR_SCAN_NO 4277 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4579; ORIGINAL_PRECURSOR_SCAN_NO 4575 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4251 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4271; ORIGINAL_PRECURSOR_SCAN_NO 4270 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4287; ORIGINAL_PRECURSOR_SCAN_NO 4286 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9460; ORIGINAL_PRECURSOR_SCAN_NO 9457 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9428 CONFIDENCE standard compound; INTERNAL_ID 197
Arborine
Arborine is a member of quinazolines. Arborine is a natural product found in Glycosmis pentaphylla with data available. Arborine is found in herbs and spices. Arborine is a major alkaloid from Ruta graveolens (rue Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1]. Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1]. Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1].
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile
Ubiquinone-1
Ubiquinone-1 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-1 has just 1 isoprene unit. Normally in humans it has 10. Ubiquinone-1 is an intermediate in the synthesis of Ubiquionone 10, which is also called Coenzyme Q (CoQ). CoQ is found in the membranes of endoplasmic reticulum, peroxisomes, lysosomes, vesicles and notably the inner membrane of the mitochondrion where it is an important part of the electron transport chain; there it passes reducing equivalents to acceptors such as Coenzyme Q : cytochrome c - oxidoreductase. CoQ is also essential in the formation of the apoptosome along with other adapter proteins. The loss of trophic factors activates pro-apoptotic enzymes, causing the breakdown of mitochondria. Because of its ability to transfer electrons and therefore act as an antioxidant, Coenzyme Q has become a valued dietary supplement. CoQ10 has been widely used for the treatment of heart disease (especially heart failure), gum diseases, and also breast cancer. The benzoquinone portion of Coenzyme Q10 is synthesized from amino acids, while the isoprene sidechain is synthesized from acetyl CoA through the mevalonate pathway. The mevalonate pathway is used for the first steps of cholesterol biosynthesis. A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit. [ChEBI] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methaqualone
Methaqualone, also known as optimil or ortonal, belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Methaqualone is a drug which is used for the treatment of insomnia, and as a sedative and muscle relaxant. Methaqualone exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid is an antioxidant used in food industry. D020011 - Protective Agents > D000975 - Antioxidants Antioxidant used in food industry
Helinorbisabone
Helinorbisabone is found in fats and oils. Helinorbisabone is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Helinorbisabone is found in fats and oils.
Pterosin H
C15H19ClO (250.11243539999998)
Isolated from Pteridium aquilinum (bracken fern). Pterosin H is found in green vegetables and root vegetables. Pterosin H is found in green vegetables. Pterosin H is isolated from Pteridium aquilinum (bracken fern).
Methyl neopentyl phthalic acid
Methyl neopentyl phthalic acid, also known as phthalic acid, methyl neopentyl ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Methyl neopentyl phthalic acid is considered to be practically insoluble (in water) and basic. (ChemoSummarizer)
Delta-CEHC
delta-CEHC, also known as δ-cehc, belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. Based on a literature review very few articles have been published on delta-CEHC.
2-[4-(2-Carboxy-2-methylpropyl)phenyl]propionic acid
Dechlorodiazepam
Dechlorodiazepam, also known as bda 250, is a member of the class of compounds known as 1,4-benzodiazepines. 1,4-benzodiazepines are organic compounds containing a benzene ring fused to a 1,4-azepine. Dechlorodiazepam is practically insoluble (in water) and a strong basic compound (based on its pKa). Dechlorodiazepam can be found in common wheat, which makes dechlorodiazepam a potential biomarker for the consumption of this food product.
Isobutyric acid 2-methoxy-4-(1-hydroxy-2-propenyl)phenyl ester
2,4,6-Trihydroxy-propiophenon-4-O-3,3-dimethylallylether
4-Methoxy-2-(3-methyloxiranyl)phenyl 2-methylpropanoate
dihydropyriculol
A member of the class of benzyl alcohols resulting from the formal reduction of the aldehyde group of pyriculol. Produced by the rice blast fungus Magnaporthe oryzae.
(4aS,5R,6S)-6-(acetyloxy)-5,6,7,8-tetrahydro-3-hydroxy-4a,5-dimethylnaphthalen-2(4aH)-one|3beta-(acetyloxy)-7-hydroxynoreremophila-6,9-dien-8-one
(+/-)-vertinolide|(-)-4-hydroxy-3,5-dimethyl-5-(3-oxo-(E,E)-4,6-octadienyl)-2(5H)-furanone|4-hydroxy-3,5-dimethyl-5-((E)-3-oxoocta-4,6-dienyl)furan-2(5H)-one|vertinolide
3-acetyl-5-<(1E,3E)-hexa-1,3-dienyl>-4-methoxy-5-methylfuran-2(5H)-one|3-acetyl-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methyl-2(5H)-furanone|iso-gregatin B|Isogregatin B
2,4-Dihydroxy-3-(3-methyl-2-butenyl)-6-methylbenzoic acid methyl ester
(3S,3aR,4S,6aR,9aS,9bR)-4-hydroxy-3-methyl-6-methyleneoctahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione|15-nor-guaianolide
2-Hydroxy-3-methoxy-4-methyl-5-(3-methyl-2-butenyl)benzoic acid
(S)-1-methylbutyl caffeate
An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with 2-pentanol. Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity.
1-(2-methoxy-4-hydroxy-5-acetylphenyl)-3-methylbutan-1-one
1,2-4,5-tetrahydro-11-nor-11-hydroxy-Delta7,11-santonin
1,4-diacetoxy-2-isopropyl-5-methyl-benzene|1,4-Diacetoxy-2-isopropyl-5-methyl-benzol|2,5-diacetylthymol|2-hydroxythymol diacetate|2.5-Diacetoxy-p-cymol|Thymochinol-diacetat|Thymohydrochinon-diacetat
11-hydroxy-4alpha,5alpha-epoxy-1alphaH,10alphaH-13-norguai-7(11)-en-12,8alpha-olide
1-(2-hydroxy-4-methoxy-5-hydroxymethylphenyl)-E-4-hexen-1-one
1-(5-acetyl-2-hydroxy-4-methoxyphenyl)-3-methylbutan-1-one
(1S,3R)-3-hydroxy-1-methylbutyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
5,6,7-trimethoxy-2,2-dimethyl-2H-chromene|Methyl-evodionol
3-(2-Hydroxy-3-methyl-3-butenyl)-4-hydroxybenzoic acid ethyl ester
8-hydroxy-3-(4-hydroxypentyl)-3,4-dihydroisochromen-1-one
trolox
D020011 - Protective Agents > D000975 - Antioxidants
Pterosin H
C15H19ClO (250.11243539999998)
4-(3-PHENYL-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZALDEHYDE
Flucindole
C14H16F2N2 (250.12814799999998)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
4-[butyl(propyl)amino]-2-chlorobenzonitrile
C14H19ClN2 (250.12366839999999)
2-NITRO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE
C13H16BFO3 (250.11764680000002)
2-Methylthiophenylboronic acid pinacol ester
C13H19BO2S (250.11987440000001)
4 4 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET&
C13H19BO2S (250.11987440000001)
2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
1-METHYL-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE
2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)-1-PHENYLETHANONE
N-t-BOC-4,4-Difluoro-L-prolinamide
C10H16F2N2O3 (250.11289299999999)
Ethanone, 1-(1,9-diazaspiro[5.5]undec-1-yl)-2,2,2-trifluoro
C11H17F3N2O (250.12929079999998)
Ethanone, 1-(2,9-diazaspiro[5.5]undec-9-yl)-2,2,2-trifluoro
C11H17F3N2O (250.12929079999998)
TERT-BUTYL 6-FLUORO-3-METHYL-1H-INDAZOLE-1-CARBOXYLATE
Benzenemethanol,2,3-dimethoxy-a-2-propen-1-yl-, 1-acetate
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C13H16BFO3 (250.11764680000002)
1-[2-HYDROXY-4-(OXIRAN-2-YLMETHOXY)-3-PROPYLPHENYL]ETHAN-1-ONE
(7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE
C14H19ClN2 (250.12366839999999)
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
3-Ethyl-1,1,1,3,5,5,5-heptamethyltrisiloxane
C9H26O2Si3 (250.12405360000002)
1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
1-(4-METHYLBENZYL)-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
4-Methylthiophenylboronic acid, pinacol ester
C13H19BO2S (250.11987440000001)
1-(1-PHENYL-ETHYL)-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE
(R)-2-acetyl-2-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarbonyl chloride
C15H19ClO (250.11243539999998)
(2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methanol
C15H19ClO (250.11243539999998)
2-fluoro-4-formylphenylboronic acidpinacol ester
C13H16BFO3 (250.11764680000002)
4-Fluoro-2-formylbenzeneboronic acid pinacol ester
C13H16BFO3 (250.11764680000002)
(4-(3-(2-Acetylhydrazinyl)-3-oxopropyl)phenyl)boronic acid
Fluorotrimethylsilylketene Ethyl Trimethylsilyl Acetal (mixture of isomers)
4-Fluoro-3-formylbenzeneboronic acid pinacol ester
C13H16BFO3 (250.11764680000002)
7-Methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
3,5-Dimethoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
3-(4-Hydroxypentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
Westerdijkin A
A methyl ester resulting from the formal condensation of the the carboxy group of {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetic acid with methanol. It is a natural product isolated from the culture of the deep sea-derived fungus Aspergillus westerdijkiae SCSIO 05233.
(4-Methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
Dihydropyriculariol
A hydroxybenzyl alcohol that is pyriculariol in which the aldehyde goup has been reduced to the corresponding alcohol.
(3Z)-6-(2,5-Dihydroxy-4-methylphenyl)-5-hydroxy-3-hepten-2-one
(3Z)-9-methyldec-3-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid.
N,N-dihydroxypentahomomethioninate
Conjugate base of N,N-dihydroxypentahomomethionine.
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-en-1-ol with sulfuric acid.
2-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
Cyclohexyl trimethylsilyl methylphosphonate
C10H23O3PSi (250.11540179999997)
Trimethylsilyl 2-(2-(2-methoxyethoxy)ethoxy)acetate
Ubiquinone-1
A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-hydroxy-8a-methyl-3-methylidene-octahydronaphtho[2,3-b]furan-2,5-dione
(2'r,5s,6s)-5-hydroxy-2'-(2-hydroxypropan-2-yl)-2-methyl-4,5-dihydrospiro[1-benzofuran-6,1'-cyclopropan]-7-one
(2s)-2-hydroxy-4-methyl-2-[(1s)-1,2,2-trimethyl-4-oxocyclopentyl]cyclopent-4-ene-1,3-dione
6-[1-(2,3-dimethyloxiran-2-yl)prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
6-[(1z)-1-[(2s,3s)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
ethyl 4-hydroxy-3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]benzoate
(2s)-7-hydroxy-2-(3-hydroxypropyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
5-hydroxy-2'-(2-hydroxypropan-2-yl)-2-methyl-4,5-dihydrospiro[1-benzofuran-6,1'-cyclopropan]-7-one
(3r)-10,12-dihydroxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one
3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one
(2s,4z)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
1-{2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}propan-1-one
(1e,3s,4s,5e)-1-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-1,5-diene-3,4-diol
2-hydroxy-3-methoxy-4-methyl-5-(3-methylbut-2-en-1-yl)benzoic acid
4-hydroxy-9,13-dimethyl-6,14-dioxatetracyclo[8.4.0.0¹,¹³.0³,⁷]tetradec-3-en-5-one
[(2r)-2-(2-hydroxy-4-methylphenyl)oxiran-2-yl]methyl 2-methylpropanoate
(2s,4z,7s,8s)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
2,3-dimethoxy-6-(2-methylprop-1-en-1-yl)phenyl acetate
2,7-diethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
(2R,3S)- pterosin Q
{"Ingredient_id": "HBIN006502","Ingredient_name": "(2R,3S)- pterosin Q","Alias": "NA","Ingredient_formula": "C14H18O4","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)C(CO)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin S
{"Ingredient_id": "HBIN006503","Ingredient_name": "(2R,3S)- pterosin S","Alias": "NA","Ingredient_formula": "C14H18O4","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCO)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,4r,5r,6s)-2-(4-ethenylphenyl)-6-methyloxane-3,4,5-triol
4-hydroxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(3z,5z)-8-chloro-2-ethyl-9-[(2e)-pent-2-en-4-yn-1-yl]-2,7,8,9-tetrahydrooxonine
C15H19ClO (250.11243539999998)
(2r,4z,7r,8r)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
2,3-dihydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3h-inden-1-one
3-chloro-2-(pent-2-en-4-yn-1-yl)-8-(prop-1-en-1-yl)-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
9-ethenyl-9-methyl-2-(sec-butyl)-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
5-hydroxy-2,4-dimethyl-2-[(4e,6e)-3-oxoocta-4,6-dien-1-yl]furan-3-one
(2s,3r)-6-[(1s)-1,2-dihydroxyethyl]-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one
(2s,3s)-2,7-diethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
(5s,9s)-2-[(2s)-butan-2-yl]-9-ethenyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
3-hydroxy-5a,9-dimethyl-4h,5h,6h,7h,9h,9ah,9bh-naphtho[1,2-b]furan-2,8-dione
(2r,3r,4z,8r)-3-chloro-2-[(2e)-pent-2-en-4-yn-1-yl]-8-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(2s,4z,7s,8s)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
4-methoxy-3-methyl-6-(4-methyl-5-oxohex-2-en-2-yl)pyran-2-one
(3z,5z,8s)-8-chloro-2-ethyl-9-[(2z)-pent-2-en-4-yn-1-yl]-2,7,8,9-tetrahydrooxonine
C15H19ClO (250.11243539999998)
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-methylbut-2-en-1-one
ethyl 4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)benzoate
(3r)-8-hydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydro-2-benzopyran-1-one
n-(3-aminopropyl)-4-hydroxy-2-imino-1h,7h-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid
(1e,3r,4s,5e)-1-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-1,5-diene-3,4-diol
7-hydroxy-2-(3-hydroxypropyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(1r,5r,7r)-5,7-dihydroxy-8,8-dimethyl-3-(prop-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
(2s,3r)-2,3-dihydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3h-inden-1-one
3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-2,3-dihydroinden-1-one
9-hydroxy-1,9,11-trimethyltricyclo[5.3.1.0³,⁸]undecane-2,4,10-trione
(5s)-5-[(3r,3as,6r,6as)-3,6-dimethyl-2-oxo-tetrahydro-3h-cyclopenta[b]furan-6-yl]-4-methyl-5h-furan-2-one
(2s,3s,8s)-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-8-[(1e)-prop-1-en-1-yl]-3,4,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(2z,4z,7s,8s)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-propyl-7,8-dihydro-6h-oxocine
C15H19ClO (250.11243539999998)
[2-(2-hydroxy-4-methylphenyl)oxiran-2-yl]methyl 2-methylpropanoate
[1-(3-methylbut-2-en-1-yl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-en-3-yl]methyl acetate
(4r,5ar,8ar)-8a-hydroxy-4,7,7-trimethyl-3h,4h,5h,5ah,6h-indeno[4,5-c]furan-1,8-dione
1-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-1,5-diene-3,4-diol
(4e)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hex-4-en-1-one
(2r,4e,7r,8r)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(4e)-1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hex-4-en-1-one
3-chloro-2-(pent-2-en-4-yn-1-yl)-8-propyl-3,4-dihydro-2h-oxocine
C15H19ClO (250.11243539999998)
(3s,3ar,4s,6ar,9as,9br)-4-hydroxy-3-methyl-6-methylidene-octahydro-3h-azuleno[4,5-b]furan-2,8-dione
7-hydroxy-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl acetate
(2s,3s)-3-hydroxy-6-(2-hydroxyethyl)-7-(hydroxymethyl)-2,5-dimethyl-2,3-dihydroinden-1-one
4-methoxy-3-methyl-6-[(2e)-4-methyl-5-oxohex-2-en-2-yl]pyran-2-one
(2r,3r,8r)-3-chloro-2-(pent-2-en-4-yn-1-yl)-8-(prop-1-en-1-yl)-3,4,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
5-[hydroxy({8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl})methyl]oxolan-2-one
4-methoxy-2-[(2r,3r)-3-methyloxiran-2-yl]phenyl 2-methylpropanoate
1-{2-hydroxy-6-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethanone
2-hydroxy-9-methyl-14-methylidene-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-13-one
(1r,2s,8as)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl acetate
4-hydroxy-3,5-dimethyl-5-(3-oxoocta-4,6-dien-1-yl)furan-2-one
butyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3s)-3-chloro-9-ethyl-2-(pent-2-en-4-yn-1-yl)-2,3,4,9-tetrahydrooxonine
C15H19ClO (250.11243539999998)
3-{3-methoxy-2,6-dimethyl-7ah-furo[2,3-b]pyran-4-yl}but-2-en-1-ol
2-[(1e,3r,4s)-3,4-dihydroxyhept-1-en-1-yl]-6-hydroxybenzaldehyde
1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hex-4-en-1-one
2-hydroxy-4-methyl-2-(1,2,2-trimethyl-4-oxocyclopentyl)cyclopent-4-ene-1,3-dione
5-(2-hydroxyethyl)-2-(hydroxymethyl)-2,6-dimethyl-1,3-dihydroindene-4,7-dione
(5as,9s,9as,9br)-3-hydroxy-5a,9-dimethyl-4h,5h,6h,7h,9h,9ah,9bh-naphtho[1,2-b]furan-2,8-dione
(5s)-5-[(3s,3as,6r,6as)-3,6-dimethyl-2-oxo-tetrahydro-3h-cyclopenta[b]furan-6-yl]-4-methyl-5h-furan-2-one
6-[(1z)-1-(2,3-dimethyloxiran-2-yl)prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
6-[(1z)-1-[(2s,3r)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
(2r,4r)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2h-naphthalen-1-one
(2s,4r)-4-hydroxypentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
methyl 2-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate
3-[(5s,6s)-5-methyl-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-5,6-dihydropyran-3-yl]propanoic acid
(2r,3ar)-3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
(1r,3s,7r,8s,9s,11r)-9-hydroxy-1,9,11-trimethyltricyclo[5.3.1.0³,⁸]undecane-2,4,10-trione
(2r)-5-(2-hydroxyethyl)-2-(hydroxymethyl)-2,6-dimethyl-1,3-dihydroindene-4,7-dione
(2s,3s)-3-hydroxy-6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-2,3-dihydroinden-1-one
3-chloro-2-(pent-2-en-4-yn-1-yl)-8-(prop-1-en-1-yl)-3,4,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(1s,7s,9s,10s,13r)-4-hydroxy-9,13-dimethyl-6,14-dioxatetracyclo[8.4.0.0¹,¹³.0³,⁷]tetradec-3-en-5-one
[(1r,5s)-1-(3-methylbut-2-en-1-yl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-en-3-yl]methyl acetate
2-(3,4-dihydroxyhept-1-en-1-yl)-6-hydroxybenzaldehyde
(2z,4z,7r,8r)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-propyl-7,8-dihydro-6h-oxocine
C15H19ClO (250.11243539999998)