Exact Mass: 380.1848314
Exact Mass Matches: 380.1848314
Found 500 metabolites which its exact mass value is equals to given mass value 380.1848314,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vomicin
Vomicine is a member of carbazoles. Vomicine is a natural product found in Strychnos icaja, Strychnos wallichiana, and Strychnos nux-vomica with data available. Vomicine, an alkaloid, shows antidiabetic activity[1]. Vomicine, an alkaloid, shows antidiabetic activity[1].
Fludrocortisone
Fludrocortisone is only found in individuals that have used or taken this drug. It is a synthetic mineralocorticoid with anti-inflammatory activity. [PubChem]Fludrocortisone binds the mineralocorticoid receptor (aldosterone receptor). This binding (or activation of the mineralocorticoid receptor by fludrocortisone) in turn causes an increase in ion and water transport and thus raises extracellular fluid volume and blood pressure and lowers potassium levels. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Norbixin
Norbixin is a water-soluble food colour. Commercial forms contain mixtures of isomers and their methyl esters. Norbixin is used to colour butter, margarine and other fat-related products. Upon exposure to alkali, the bixins methyl ester is hydrolyzed to produce the dicarboxylic acid norbixin, a water-soluble derivative. Bixin is an apocarotenoid found in annatto, a natural food coloring obtained from the seeds of the achiote tree (Bixa orellana). (Wikipedia Water-soluble food colour. Commercial forms contain mixts. of isomers and their Me esters. It is used to colour butter, margarine and other fat-related products D000074385 - Food Ingredients > D005503 - Food Additives > D005505 - Food Coloring Agents D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D004396 - Coloring Agents
Chaparrin
C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1974 - Quassinoid Agent C1907 - Drug, Natural Product
Cinncassiol C
Cinncassiol C is found in herbs and spices. Cinncassiol C is a constituent of Cinnamomum cassia (Chinese cinnamon)
Di-4-coumaroylputrescine
Alkaloid from Helianthus annuus (sunflower), Pyrus communis (pear), Rubus idaeus (raspberry) and Vicia faba. Di-4-coumaroylputrescine is found in many foods, some of which are pomes, fruits, red raspberry, and pulses. Di-4-coumaroylputrescine is found in fats and oils. Di-4-coumaroylputrescine is an alkaloid from Helianthus annuus (sunflower), Pyrus communis (pear), Rubus idaeus (raspberry) and Vicia faba.
Prenyl arabinosyl-(1->6)-glucoside
C16H28O10 (380.16823880000004)
Prenyl arabinosyl-(1->6)-glucoside is found in fruits. Prenyl arabinosyl-(1->6)-glucoside is a constituent of purple passion fruit Passiflora edulis. Constituent of purple passion fruit Passiflora edulis. Prenyl arabinosyl-(1->6)-glucoside is found in fruits.
Tokinolide A
Tokinolide A is found in green vegetables. Tokinolide A is a constituent of the roots of Angelica acutiloba (Dong Dang Gui).
Levistolide A
Levistolide B is found in herbs and spices. Levistolide B is a constituent of Levisticum officinale (lovage)
Pteroside B
Pteroside B is found in green vegetables. Pteroside B is a constituent of Pteridium aquilinum (bracken fern)
Angeolide
Tokinolide B is found in green vegetables. Tokinolide B is a constituent of the roots of Angelica acutiloba (Dong Dang Gui).
Conferone
Conferone is isolated from Ferula species. Isolated from Ferula subspecies
Prenyl apiosyl-(1->6)-glucoside
C16H28O10 (380.16823880000004)
Prenyl apiosyl-(1->6)-glucoside is found in alcoholic beverages. Prenyl apiosyl-(1->6)-glucoside is a constituent of a wine grape (Vitis vinifera) and Bupleurum falcatum
Gancaonin U
Gancaonin U is found in herbs and spices. Gancaonin U is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin U is found in herbs and spices.
Deacetylisovaltrate
Constituent of Valeriana officinalis (valerian). Deacetylisovaltrate is found in tea, fats and oils, and herbs and spices. Deacetylisovaltrate is found in fats and oils. Deacetylisovaltrate is a constituent of Valeriana officinalis (valerian)
Angelicolide
Angelicolide is found in herbs and spices. Angelicolide is a constituent of roots of Angelica glauca
3-Methyl-3-butenyl apiosyl-(1->6)-glucoside
C16H28O10 (380.16823880000004)
3-Methyl-3-butenyl apiosyl-(1->6)-glucoside is found in alcoholic beverages. 3-Methyl-3-butenyl apiosyl-(1->6)-glucoside is a constituent of a wine from grapes Vitis vinifera cv. Gewurztraminer
Kinocoumarin
Kinocoumarin is found in citrus. Kinocoumarin is a constituent of Citrus medica (citron). Constituent of Citrus medica (citron). Kinocoumarin is found in citrus.
6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide
6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
(3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone
(3x,5a,9x,10b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3x,5a,9x,10b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3x,5a,9x,10b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices.
1-(9Z-tetradecenoyl)-glycero-3-phosphate
1-(9Z-tetradecenoyl)-glycero-3-phosphate is classified as a member of the 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. 1-(9Z-tetradecenoyl)-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-(9Z-tetradecenoyl)-glycero-3-phosphate is a glycerophosphate lipid molecule
(1S)-1-(3-Methoxyphenyl)-2-[4-[4-[(propan-2-ylideneamino)oxymethyl]phenyl]triazol-1-yl]ethanol
(2S,3S)-1-[[2-Methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
(2S,3S)-N-(2-Methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine
Fluorohydrocortisone
[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
3-Methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
C26H24N2O (380.18885339999997)
(8S,9R,10S,11R,13S,14S,17S)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
TokinolideB
Tokinolide B is a natural product found in Ligusticum striatum, Ligusticum chuanxiong, and other organisms with data available.
29MRT0H4CE
(Z)-6,6,7,3a-Diligustilide is a butenolide. It has a role as a metabolite. Levistilide A is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Angelica sinensis root oil (part of). A natural product found in Ligusticum porteri. Levistolide A (LA), a natural compound isolated from the traditional Chinese herb Ligusticum chuanxiong Hort, is used for treating cancer. Levistolide A can induce apoptosis via ROS-mediated ER stress pathway[1]. Levistolide A (LA), a natural compound isolated from the traditional Chinese herb Ligusticum chuanxiong Hort, is used for treating cancer. Levistolide A can induce apoptosis via ROS-mediated ER stress pathway[1].
[3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid
Neurolenin C
A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity.
3beta,4alpha,7beta,10beta-Tetrahydroxy-15,16-epoxy-labda-13(16),14-dien-20,12-olide
Neurolenin D
A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity.
3alpha,4beta,8beta,10beta-Tetrahydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
[3aR-[3aalpha,4beta(S*),6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta]]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid
[3aR-(3aalpha,4beta,6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta)]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 3-methylbutanoic acid
(7E)-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyn-14-ol|cordifolioidyne C
8alpha-hydroxy-7,11-dehydro-senatractolide-6-O-2-methylbutyrate
2alpha-isovaleryloxy-3,8-dioxo-11-peroxy-4beta,5beta-epoxybisabola-8(14),9E-diene
8alpha-hydroxy-7,11-dehydro-senatractolide-6-O-isovalerate
2,4-dihydroxy-6-methoxy-3,5-di-(3-methylbut-2-enyl)-benzophenone|2,4-dihydroxy-6-methoxy-3,5-diprenylbenzophenone|Vismiaphenone A
7-(2-Methylbutanoyl),9-angeloyl: p-Mentha-1,3,5-triene-3,7,8,9,10-penol|9-Angeloyloxy-7-(2-methylbutyryloxy)-8,10-dihydroxy-thymol
1-acetyl-17,18-epoxy-11-methoxy-cura-2(16),19-dien-17-ol|Methoxy-2,16-dehydro-diabolin
6beta,7beta,12alpha,14beta,18-pentahydroxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|parvifoline P
3,3-dimethoxyxanthocillin X dimethyl ether|3,3-dimethoxyxanthocillinX dimethyl ether
1beta-hydroxy-8-desacylzacatechinolide-(2-methyl butyrate)
Cinnamoyl(E-)-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
methyl 3,5-di-O-(3-methyl-(E)-2-pentenoyl)shikimate
(1S,3R,6R,7R,8R,10R)-1-hydroxy-3-methoxy-3,10-epoxy-8-isobutyryloxygermacra-4,11(13)-dien-6,12-olide|TD-6
8alpha-Angeloyloxy-1beta,10alpha-epoxy-2alpha,15-dihydroxy-11betaH-germacr-4Z-en-12,6alpha-olide
8alpha-O-(4-hydroxy-2-methylenebutanoyloxy)-11beta,13-dihydrosonchucaprolide|8alpha-O-(4-hydroxy-2-methylenebutanoyloxy)-11beta,13-dihydrosonchucarpolide
6beta,7beta,11beta,14beta,18-pentahydroxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|parvifoline O
2alpha-isovaleryloxy-3,8-dioxo-11-hydroxy-4beta,5beta,7alpha,14-bis-epoxybisabol-9E-ene
6beta-(angeloyloxy)-1-alpha,8beta,10beta-trihydroxyeremophil-7(11)-en-12,8alpha-olide|rel-(4S,4aS,5S,8S,8aS,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-8,8a,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate
(+/-)-cis-1,2-Bis((E)-3,4-dimethoxystyryl)cyclobutane|(+/-)-cis-1,2-Bis<(E)-3,4-dimethoxystyryl>cyclobutane|(1RS,2SR)-(E,E)-1,2-Bis[2-(3,4-dimethoxyphenyl)ethenyl]cyclobutane
8beta-isovaleryloxy-3beta,10alpha-dihydroxy-1-oxo-germacra-4E,11(13)-diene-12,6alpha-olide
(1alpha,6beta,14beta)-7alpha,20-epoxy-1,7,14-trihydroxy-16-oxo-15,16-seco-ent-kauran-6,15-olide|Rubescensin S
3-(3,4-dimethoxy-phenyl)-4-(3,4-dimethoxystyryl)cyclohexene
7alpha,8alpha-epoxy-senatractolide-6-O-(2-methylbutyrate)
2-Hydroxy-3-methoxystrychnine
A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica.
8alpha-angeloyloxy-2beta,4beta,10beta-trihydroxy-6betaH,7alphaH,11betaH-1(5)-guaien-12,6alpha-olide
hypargystilbene A|rel-(6aS,12aR)-2-(1,1-dimethylprop-2-en-1-yl)-6a,7,12,12a-tetrahydro-6,6-dimethyl-6H-benzo[b]naphtho[2,3-d]pyran-3,8,10-triol
4-hydroxy-19-methyl-16,19-seco-12,24-seco-strychnidine-10,16-dione
CC(=CCC1=C(C=C(C=C1OCC=C(C)C)O)C=CC1=CC(=C(C=C1)O)O)C
(E)-2,4-di(3-methyl-2-buten-1-yl)-3,3,4,5-tetrahydroxystilbene
1alpha-angeloyloxy-6beta,8beta,9beta-trihydroxyeremophil-7(11)-en-(12,8alpha)-olide|melanothyrsin C
(E)-2,6-di(3-methyl-2-buten-1-yl)-3,3,5,5-tetrahydroxystilbene
(6R*)-11alpha,15alpha,16beta-trihydroxy-6,7-seco-3alpha,6:6,20-diepoxy-ent-kaur-1alpha,7-olide|jianshirubesin A
5beta,9beta-Dihydroxy-8beta-(isovaleryloxy)trichosalviolid
Cannagunin B|cannagunine-B|ent-(16Z)-18-hydroxy-1-methyl-19-nor-coryn-16-ene-5alpha,16-dicarboxylic acid 5-methyl ester 16-lactone|ent-1-methyl-18-oxo-19-oxa-19a-homo-yohimb-16-ene-5alpha-carboxylic acid methyl ester
(4S,4aS,5R,6S,8aS,9aR)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-4,8a,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl (2E)-2-methylbut-2-enoate|6beta,8alpha,10beta-trihydroxy-3-[((E)-2-methylbut-2-enoyl)oxy]eremophilenolide|hertidin D
3alpha,10alpha,13alpha,16alpha,17-pentahydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid gamma-lactone|3??,10??,13??,16??,17-Pentahydroxy-9??-methyl-15-oxo-20-nor-kaur-an-19-oic acid ??-lactone
Conferone
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
(4S,4aS,5R,6S,8aS,9aR)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-4,8a,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate|6beta,8alpha,10beta-trihydroxy-3-[(3-methylbut-2-enoyl)oxy]eremophilenolide|hertidin C
7alpha,8alpha-epoxy-senatractolide-6-O-isovalerate
12-hydroxy-16-methoxy-strychnidin-10-one|Desmethoxy-rindlin
12-hydroxy-11-methoxy-strychnine|12-hydroxy-11-methoxystrychnine|4-hydroxy-3-methoxy-strychnidin-10-one|4-hydroxy-3-methoxy-strychnine|4-Hydroxy-3-methoxystrychnin|4-hydroxy-3-methoxystrychnine|4-hydroxy-alpha-colubrine
2-alpha-hydroxyeudesma-4,11(13)-dien-12,8beta-olide-2-O-beta-D-xylopyranoside
methyl 4,5-di-O-(3-methyl-(E)-2-pentenoyl)shikimate
1??,7??,10??,13??-Tetrahydroxy-9??-methyl-15-oxo-20-nor-kauran-19-oic acid ??-lactone
(E)-4-[3,5-dihydroxy-2,6-bis(3-methylbut-2-enyl)styryl]benzene-1,2-diol|artochamin F
9alpha-hydroxy-3Z-seco-ratiferolide-5alpha-O-(2-methylbutyrate)|9alpha-hydroxy-3Z-seco-ratiferolide-5alpha-O-<2-methylbutyrate>
2alpha,10alpha,13alpha,16alpha,17-pentahydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid (19,10)-lactone|2alpha,10alpha,13alpha,16alpha,17-pentahydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid gamma-lactone|2??,10??,13??,16??,17-Pentahydroxy-9??-methyl-15-oxo-20-nor-kauran-19-oic acid (19,10)-lactone
(5R,6R,7R,8S,10S,11S)-15-hydroxy-8-(1,2-dihydroxyethyl)-acryloxyelema-1,3-dien-6,12-olide
10-(1-Ethenyl-1, 5-dimethyl-4-hexenyl)-5-hydroxy-8, 8-dimethyl-2H, 8H-benzo[1, 2-b:5, 4-b]dipyran-2-one, 9CI|5-hydroxy-8,8-dimethyl-10-(3,7-dimethylocta-1,6-dien-3-yl)-2H,8H-benzo<1,2-b:5,4-b>dipyran-2-one
2,3,14-Triacetoxy-8,17-epoxy-9-hydroxy-5,11-briaradien-18,7-olide
2,2-Dimethyl-4-(acetoxymethyl)-5-(2-chloroethyl)-6-(butanoyloxymethyl)indan
C21H29ClO4 (380.17542640000005)
14-Hydroxyicajine
A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the leaves of Strychnos icaja.
[3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-methoxyphenyl]phenylmethanone
(16E,19S)-17,19-Epoxy-21-hydroxy-1-methyl-20alphaH-4,21-seco-coryna-3,5,16-trien-16-carbonsaeure-methylester|(16E,19S)-17,19-epoxy-21-hydroxy-1-methyl-20alphaH-4,21-seco-coryna-3,5,16-triene-16-carboxylic acid methyl ester|(4S)-5c-hydroxymethyl-6t-methyl-4r-(9-methyl-9H-beta-carbolin-1-ylmethyl)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester|Alstonidin|alstonidine
1beta,3beta-Dihydroxy-6alpha-(2-hydroxymethylacryloyloxy)costic acid methyl ester
9alpha-hydroxy-seco-ratiferolide-5alpha-O-(2-methylbutyrate)
Angelicide
Angelicide is a natural product found in Ligusticum striatum and Ligusticum chuanxiong with data available.
12-(3-(3,4-Dimethoxyphenyl)acryloyl)-cytisine
5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
C20H28O7_2-Butenoic acid, 4-hydroxy-2-methyl-, (1R,5S,6S)-3-(hydroxymethyl)-6-(1-methylethyl)-5-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-3-cyclohexen-1-yl ester, (2E)
C19H28N2O6_1-{5-O-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione
[(1R,5S,6S)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Vomicine
Vomicine, an alkaloid, shows antidiabetic activity[1]. Vomicine, an alkaloid, shows antidiabetic activity[1].
5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]
5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000848891]
CP-122721
CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8208; ORIGINAL_PRECURSOR_SCAN_NO 8206 CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8220; ORIGINAL_PRECURSOR_SCAN_NO 8218 CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8261; ORIGINAL_PRECURSOR_SCAN_NO 8260 CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8255; ORIGINAL_PRECURSOR_SCAN_NO 8254 CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8236; ORIGINAL_PRECURSOR_SCAN_NO 8233 CONFIDENCE standard compound; INTERNAL_ID 443; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8236; ORIGINAL_PRECURSOR_SCAN_NO 8233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7 CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8260; ORIGINAL_PRECURSOR_SCAN_NO 8259
[(1R,5S,6S)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate_major
Ala Ala Gly Tyr
Ala Ala Tyr Gly
Ala Phe Gly Ser
Ala Phe Ser Gly
Ala Gly Ala Tyr
Ala Gly Phe Ser
Ala Gly His Pro
Ala Gly Pro His
Ala Gly Ser Phe
Ala Gly Tyr Ala
Ala His Gly Pro
Ala His Pro Gly
Ala Pro Gly His
Ala Pro His Gly
Ala Ser Phe Gly
Ala Ser Gly Phe
Ala Tyr Ala Gly
Ala Tyr Gly Ala
Phe Ala Gly Ser
Phe Ala Ser Gly
Phe Gly Ala Ser
Phe Gly Gly Thr
Phe Gly Ser Ala
Phe Gly Thr Gly
Phe Ser Ala Gly
Phe Ser Gly Ala
Phe Thr Gly Gly
Gly Ala Ala Tyr
Gly Ala Phe Ser
Gly Ala His Pro
Gly Ala Pro His
Gly Ala Ser Phe
Gly Ala Tyr Ala
Gly Phe Ala Ser
Gly Phe Gly Thr
Gly Phe Ser Ala
Gly Phe Thr Gly
Gly Gly Phe Thr
Gly Gly Thr Phe
Gly His Ala Pro
Gly His Pro Ala
Gly Pro Ala His
Gly Pro His Ala
Gly Ser Ala Phe
Gly Ser Phe Ala
Gly Thr Phe Gly
Gly Thr Gly Phe
Gly Tyr Ala Ala
His Ala Gly Pro
His Ala Pro Gly
His Gly Ala Pro
His Gly Pro Ala
His Pro Ala Gly
His Pro Gly Ala
Pro Ala Gly His
Pro Ala His Gly
Pro Gly Ala His
Pro Gly His Ala
Pro His Ala Gly
Pro His Gly Ala
Ser Ala Phe Gly
Ser Ala Gly Phe
Ser Phe Ala Gly
Ser Phe Gly Ala
Ser Gly Ala Phe
Ser Gly Phe Ala
Thr Phe Gly Gly
Thr Gly Phe Gly
Thr Gly Gly Phe
Tyr Ala Ala Gly
Tyr Ala Gly Ala
Tyr Gly Ala Ala
chlorovulone I
C21H29ClO4 (380.17542640000005)
chlorovulone IV
C21H29ClO4 (380.17542640000005)
Angelicolide
Angeolide
Pteroside B
Bis-coumaramidobutane
Isodiospyrin
Levistolide A (LA), a natural compound isolated from the traditional Chinese herb Ligusticum chuanxiong Hort, is used for treating cancer. Levistolide A can induce apoptosis via ROS-mediated ER stress pathway[1]. Levistolide A (LA), a natural compound isolated from the traditional Chinese herb Ligusticum chuanxiong Hort, is used for treating cancer. Levistolide A can induce apoptosis via ROS-mediated ER stress pathway[1].
Cinncassiol C
Valepotriate a1
Gancaonin U
Kinocoumarin
A member of the class of coumarins that is 2H,8H-pyrano[3,2-g]chromen-2-one substituted by geminal methyl groups at position 8, a hydroxy group at position 5, and a 2-methylbut-3-en-2-yl group at positions 7 and 10.
(3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone
Tokinolide A
6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide
chlorovulone I
C21H29O4Cl (380.17542640000005)
Chlorovulone II
C21H29O4Cl (380.17542640000005)
chlorovulone III
C21H29O4Cl (380.17542640000005)
fludrocortisone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
2-(4-BOC-PIPERAZINYL)-2-(3,4-DIMETHOXY-PHENYL)ACETIC ACID
benzyl 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylate
4-[CARBOXY-(4-FLUORO-PHENYL)-METHYL]-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTERHYDROCHLORIDE
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(2-fluorophenyl)- (9CI)
C22H25FN4O (380.20122919999994)
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid
4-Methylphenyl 4-[(trans-4-propylcyclohexyl)carbonyloxy]benzoate
SB-222200
C26H24N2O (380.18885339999997)
SB-222200 is a potent, selective, orally active and blood-brain barrier (BBB) penetrant NK-3 receptor antagonist. SB-222200 is developed for central nervous system (CNS) disorders[1].
6-nitro-N-[2-(4-pentoxyphenyl)ethyl]quinazolin-4-amine
Cibenzoline succinate
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
(10-Phenyl-9-anthracenyl)boronic acid pinacol ester
C26H25BO2 (380.19474999999994)
7-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one
diethylstilbestrol dipropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
2-[3-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)PROPYL]-1H-ISOINDOLE-1,3(2H)-DIONE
2-(4-Boc-piperazinyl)-α-(2,3-dimethoxy-phenyl)acetic acid
2-(4-Boc-piperazinyl)-α-(3,5-dimethoxy-phenyl)acetic acid
2,5-Furandione, polymer with 2,2-(1,2-ethanediylbis(oxy))bis(ethanol) and 3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
Selitrectinib
C20H21FN6O (380.17607879999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155765 - TRK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D004791 - Enzyme Inhibitors
Oxyphencyclimine hydrochloride
C20H29ClN2O3 (380.18665940000005)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Benzoic acid, 4-(2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-, (E)-
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
N2-(4-fluorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine
7-[[(1R,8aS)-2,5,5,8a-tetramethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-butyric acid
[2(R,S)-2-Sulfanylheptanoyl]-phe-ala
C19H28N2O4S (380.17696880000005)
(2S,3S)-1-[[2-Methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
7-[[(1R,4aS,8aR)-2,5,5,8a-tetramethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-tetradec-7-enoate
5,11-Dihydro-11-[[4-(2-aminoethyl)-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
C20H24N6O2 (380.19606439999995)
3-(3,4-dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene
A natural product found in Zingiber cassumunar.
2-[(4E)-4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide
2-Cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester
N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-furancarboxamide
2-methoxy-6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
2-amino-1-[2-(4-morpholinyl)ethyl]-N-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide
C20H24N6O2 (380.19606439999995)
3-(3,4-dimethoxyphenyl)-4-[(Z)-3,4-dimethoxystyryl]cyclohex-1-ene
A natural product found in Zingiber cassumunar.
2-(2-Fluoro-5-methoxyphenyl)-5-methyl-4-[(4-phenyl-1-piperidinyl)methyl]oxazole
C23H25FN2O2 (380.18999619999994)
(4aS,6aS,12aS,12bR,12cS)-4a-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
(4aR,6aS,12aS,12bR,12cS,14S)-14-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
(4aR,6aS,12aS,12bR,12cS)-8-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
(4aR,6aS,12aS,12bR,12cS)-9-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
(1S,2aR,8bR)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(6R,7S,8S)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
(6S,7S,8S)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
(6S,7R,8S)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
1-[(2S,3R)-6-benzoyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-2-methoxyethanone
1-[(2R,3R)-6-benzoyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-2-methoxyethanone
[(2R,3S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-fluorophenyl)methanone
C23H25FN2O2 (380.18999619999994)
[(2S,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-fluorophenyl)methanone
C23H25FN2O2 (380.18999619999994)
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxy-1-oxoethyl)amino]-2-oxanyl]-N-[(2-methoxyphenyl)methyl]acetamide
3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
(1R,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(4-oxanyl)methanone
C23H25FN2O2 (380.18999619999994)
(6S,7S,8R)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
(6R,7S,8R)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
(6R,7R,8S)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
(6S,7R,8R)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H25FN2O2 (380.18999619999994)
1-[(2S,3S)-6-benzoyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-2-methoxyethanone
[(2S,3S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-fluorophenyl)methanone
C23H25FN2O2 (380.18999619999994)
[(2R,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-fluorophenyl)methanone
C23H25FN2O2 (380.18999619999994)
Methyl (1R,4S,12S,13S,16R,18S)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate
2-[(9-Ethyl-3-carbazolyl)iminomethyl]propanedioic acid diethyl ester
6-[(2Z)-2-benzylideneheptoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(9S)-11-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
(2-hydroxy-3-phosphonooxypropyl) (Z)-tetradec-9-enoate
(3x,5a,9x,10b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone
1-Myristoyl-sn-glycerol 3-phosphate(2-)
An anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-myristoyl-sn-glycerol 3-phosphate.
10-hydroxyicajine
A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica.
11-hydroxyicajine
A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica.
5-hydroxyvomicine
A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica.