Exact Mass: 348.20221239999995
Exact Mass Matches: 348.20221239999995
Found 500 metabolites which its exact mass value is equals to given mass value 348.20221239999995,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ingenol
Ingenol is a tetracyclic diterpenoid that is 1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one substituted at positions 5, 5a and 6 by hydroxy groups, positions 1, 1, 7 and 9 by methyl groups, position 4 by a hydroxymethyl group and position 1 by an oxo group (the 1aR,2S,5R,5aR,6S,8aS,9R,10aR diastereomer). It is a tetracyclic diterpenoid and a cyclic terpene ketone. Ingenol is a natural product found in Euphorbia villosa, Euphorbia illirica, and other organisms with data available. Ingenol is a PKC activator, with a Ki of 30 μM, with antitumor activity. Ingenol is a PKC activator, with a Ki of 30 μM, with antitumor activity.
Gibberellin A53
Gibberellin A53 (GA53) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Thus, gibberellin A53 is considered to be an isoprenoid lipid molecule. Gibberellin A53 is found in apple. Gibberellin A53 is isolated from Vicia faba and spinach (Spinacia oleracea). Isolated from Vicia faba and spinach (Spinacia oleracea). Gibberellin A53 is found in many foods, some of which are sapodilla, cowpea, sorghum, and garden tomato.
Gibberellin A15 open lactone
TTNPB
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents
Bexarotene
Bexarotene is only found in individuals that have used or taken this drug. It is an antineoplastic agent indicated by the FDA for Cutaneous T cell lymphoma. It has been used off-label for lung cancer, breast cancer, and Kaposis sarcoma (Wikipedia). Bexarotene selectively binds with and activates retinoid X receptor subtypes. There are three subtypes in total: RXRα, RXRβ, RXRγ. The exact mechanism of action of bexarotene in the treatment of CTCL is unknown but the drug has activity in all clinical stages of CTCL. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D000970 - Antineoplastic Agents
Roxatidine acetate
C19H28N2O4 (348.20489680000003)
Roxatidine acetate is only found in individuals that have used or taken this drug. It is a specific and competitive H2 receptor antagonist. It is currently approved in South Africa under the tradename Roxit.The H2 antagonists are competitive inhibitors of histamine at the parietal cell H2 receptor. They suppress the normal secretion of acid by parietal cells and the meal-stimulated secretion of acid. They accomplish this by two mechanisms: histamine released by ECL cells in the stomach is blocked from binding on parietal cell H2 receptors which stimulate acid secretion, and other substances that promote acid secretion (such as gastrin and acetylcholine) have a reduced effect on parietal cells when the H2 receptors are blocked. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide
3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide is found in green vegetables. 3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide is found in green vegetables.
Gibberellin A112
Gibberellin A112 belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A112 is a constituent of Matthiola incana and Raphanus sativus (radish).
Gibberellin A110
Gibberellin A110 (GA110) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A110 is found in fats and oils. Gibberellin A110 is a constituent of Spinacia oleracea (spinach) and Elaeis guineensis (African palm oil). Constituent of Spinacia oleracea (spinach) and Elaeis guineensis (African palm oil). Gibberellin A110 is found in many foods, some of which are gooseberry, pot marjoram, orange bell pepper, and mixed nuts.
Bakkenolide C
Bakkenolide C is found in green vegetables. Bakkenolide C is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Bakkenolide C is found in green vegetables.
Cohumulone
Cohumulone is found in alcoholic beverages. Cohumulone is a constituent of hops. Constituent of hops. Cohumulone is found in alcoholic beverages.
3b-Hydroxy-6b-tigloyloxy-7(11)-eremophilen-12,8b-olide
3b-Hydroxy-6b-tigloyloxy-7(11)-eremophilen-12,8b-olide is found in green vegetables. 3b-Hydroxy-6b-tigloyloxy-7(11)-eremophilen-12,8b-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6b-tigloyloxy-7(11)-eremophilen-12,8b-olide is found in green vegetables.
12,20-Dioxo-leukotriene B4
This compound belongs to the family of Leukotrienes. These are eicosanoids containing an hydroxyl group attached to the aliphati chain of an arachidonic acid.
(R)-1-(5-Tert-Butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
C21H24N4O (348.19500139999997)
4-[2-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
ingenol
Intoplicine
C21H24N4O (348.19500139999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Carnosolic acid
Carnosolic acid, also known as carnosolate, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Carnosolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Carnosolic acid can be found in common sage and rosemary, which makes carnosolic acid a potential biomarker for the consumption of these food products.
Gibberellin A14
Gibberellin a14 is a member of the class of compounds known as c20-gibberellin 6-carboxylic acids. C20-gibberellin 6-carboxylic acids are c20-gibberellins with a carboxyl group at the 6-position. Gibberellin a14 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a14 can be found in a number of food items such as komatsuna, sour cherry, hard wheat, and cumin, which makes gibberellin a14 a potential biomarker for the consumption of these food products.
bixin aldehyde
Bixin aldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Bixin aldehyde can be found in a number of food items such as bamboo shoots, sago palm, welsh onion, and globe artichoke, which makes bixin aldehyde a potential biomarker for the consumption of these food products.
Isolasolide
1,10-Epoxy-4alpha-hydroxy-6beta-isovaleryloxyfuranoeremophilane
Effusanin A
(R)-2-(1,5-dimethyl-4-hexenyl)-4-hydroxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid
Lasolid
Megathyrin A
A cyclic terpene ketone that is ent-7alpha,20-epoxy-kaur-16-en-15-one substituted with hydroxy groups at positions 1, 7 and 14 (the 1alpha,7beta,14beta stereoisomer). Isolated from the leaves of Isodon megathyrsus, it exhibits cytotoxic activity.
(E,Z,E,Z)-6-Formyl-2,10,14-trimethyl-2,6,10,14-hexadecatetraenedioic acid
2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-7-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-8-yl ester 2-methylbutanoic acid
Sinularolide C
A cembrane diterpenoid that is an epimer of sinularolide B at C-3. Isolated from Sinularia gibberosa and has been found to exhibit antineoplastic activity.
(R)-5-(1,5-dimethyl-4-hexenyl)-4-hydroxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid
2(S)-7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
[4aR-[4aalpha,5alpha,6alpha(2S*,3R*),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid
9-Acetoxy-8-hydroxy-1-methoxy-10-heptadecene-4,6-diyn-3-one
8beta-(2-Methylbutanoyl)-14-hydroxy-1(10),4E,11(13)-germacratrien-12,6beta-olide
N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide
Cohumulone
(2R,4S,5R,8R,9R,10R)-2-[(angeloyl)oxy]-9-hydroxyeremophil-7(11)-en-12,8-olide|(8R,9beta)-2-[(angeloyl)oxy]-9-hydroxyeremophil-7(11)-en-12,8-olide
1alpha,10alpha,13alpha-trihydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid gamma-lactone|1??,10??,13??-Trihydroxy-9??-methyl-15-oxo-20-nor-kauran-19-oic acid ??-lactone
8alpha-<2-methylbutanoyloxy>-4beta,5alpha-epoxy-trans-germacra-1(10)-en-12,6beta-olide
6beta,7beta,14beta-trihydroxy-9(10->20)-abeo-6,20-epoxy-ent-kaur-16-en-15-one|luanchunin A
12,16,17-trihydroxy-abieta-8,11,13-trien-19-oic acid|12,16,17-Trihydroxy-abieta-8,11,13-trien-19-oic Acid, Pododacric Acid|12,16,17-Trihydroxy-abieta-8,11,13-trien-19-saeure|pododacric acid|Pododacric-saeure|Pododacrinsaeure
8-(2-Methylbutanoyl)-(1(10)E, 4E, 6alpha, 8beta, 9xi)-8, 9-Dihydroxy-1(10), 4, 11(13)-grmacratrien-12, 6-olide
8alpha-(2-methylbutyryloxy)-9alpha-hydroxymontahibisciolide
7alpha,11alpha-dihydroxy-14-oxo-13(12->11)abeo-abieta-8-en-12,16-olide|Micranthin C
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, [1aR-(1a.alpha.,1b.beta.,4a.alpha.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.,9a.alpha.)]-
4beta-Hydroxy-4,5beta-dihydro-6-O-tigloylsteiractinolid
(+)-miliusane IX|6alpha-hydroxy-9beta-acetoxy-1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6,9-trione
15-hydroxypinusolidic acid|15?鈥?Hydroxypinusolidic acid|16-hydroxylabda-8(17),13-diene-15,19-dioic acid butenolide
4alpha-hydroxy-2alpha-isovaleryloxy-10betaH-guaia-1(5)11(13)-dien-8alpha,12-olide
3,4-Dihydro-6,8-dihydroxy-3-(6-oxoundecyl)-1H-2-benzopyran-1-one
1alpha-tigloyloxy-8beta-hydroxyeremophil-7(11)-en-12,8alpha-olide
7beta,11beta,12beta-trihydroxy-ent-abieta-8(14),13(15)-dien-16,12-olide
(3alpha,5beta,6beta,9beta,10alpha,13alpha)-3,6,7-trihydroxy-7,20-epoxy-ent-kaur-16-en-15-one|phyllostacin G
1beta,2beta-epoxy-3beta-(3-methylbutanoyloxy)-5betaH,6alphaH,7alphaH,10alphaMe,11alphaMe-eudesm-4(15)-en-6,12-olide
15xi-hydroxy-16-oxospongi-13-en-19-oic acid|spongiabutenolide A
1-Angeloyl-1,10-Dihydroxy-7(11)-eremophilen-12,8-olide
8-(2,3-Epoxy-3-methylbutanoyl)-8-Hydroxy-4-daucene-3,9-dione
1-beta, 10beta-Epoxide, 6-(2-methylpropanoyl)-(4alpha, 6beta)-Furanoeremophil-1(10)-ene-4, 6-diol
(4R,4aR)-4,4a-dihydroxy-3-hydroxymethyl-7,7,10a-trimethyl-2,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrophenanthro<3,2-b>furan-2-one|(4R,4aR)-4,4a-dihydroxy-3-hydroxymethyl-7,7,10a-trimethyl-2,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrophenanthro[3,2-b]furan-2-one|(ent-8beta,14alpha)-form-8,14,17-Trihydroxy-11,13(15)-abietadien-16,12-olide
cis-ent-14,15-Epoxyclerod-3-en-16,18-dioic acid-16,15-olide
16-hydroxy-ent-cleroda-3,13-diene-17-oic acid-15,16-olide
15-isovaleryloxy-4beta,5alpha-epoxygermacra-1(10)E,11(13)-dien-12,8alpha-olide
6alpha,11,12,16-tetrahydroxy-7-oxoabieta-8,11,13-triene|6alpha,11,12,16-tetrahydroxyabieta-8,11,13-trien-7-one|Nellionol
4-epi-henryine A|4-Epihenryin A|4-Epihenryine|amethystoidin A|henryin A
6alpha,15-dihydroxy-7,13-abietadien-12-oxo-18-oic acid|pinyunin B
(ent-3??, 4??)-form-15, 16-Epoxy-3, 4-dihydroxy-12-oxo-13(16), 14-clerodadien-20-al|3alpha,4beta-dihydroxy-15,16-epoxy-12-oxo-cleroda-13(16),14-dien-9-al|3??,4??-Dihydroxy-15,16-epoxy-12-oxo-cleroda-13(16),14-dien-9-oal
7alpha,9alpha,12alpha-trihydroxy-6beta,20-epoxyisopimara-8(14),15-dien-20-one|smardaesidin E
(2E,4S)-8-[(5R)-1,3,4,5,6,7-hexahydro-1-hydroxy-4,4-dimethyl-3-oxo-2-benzofuran-5-yl]-4-hydroxy-2-methyl-6-methylideneoct-2-enal|cespitulin F
3-deacetyl-11-oxoleukamenin E|3beta,7alpha,14beta-trihydroxy-ent-kaur-16-ene-11,15-dione
6beta,14beta,15beta-trihydroxy-11alpha,20-epoxy-ent-kaur-16-en-7-one|jianshirubesin F
10alpha,13alpha,17-trihydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid gamma-lactone|10??,13??,17-Trihydroxy-9??-methyl-15-oxo-20-nor-kauran-19-oic acid ??-lactone
6beta,15alpha-dihydroxy-6,7-seco-6,20-epoxy-1alpha,7-olide-ent-kaur-16-ene|6beta,15alpha-dihydroxy-6alpha,20-epoxy-6,7-seco-ent-kaur-16-en-1alpha,7-olide|isodocarpin
(1S,7S)-1,7-dihydroxy-15-oxo-ent-kaur-16-en-19-oic acid|geopyxin A
6|A-Hydroxycleroda-3,13-dien-16,15-olid-18-oic acid
1alpha-angeloyloxy-6beta-hydroxyeremophil-7(11)-en-(12,8alpha)-olide|melanothyrsin A
3,16-dioxo-3-methoxy-2,3-secoandrostane 2,19-lactone
2alpha,3beta,11,12-tetrahydroxy-7beta,20-epoxy-8,11,13-abietatriene
6beta,15xi-dihydroxy-7-oxo-8,13-labdadien-15,16-olide|isosibiricinone B
15,16-epoxy-6beta,9alpha-dihydroxylabda-13(16),14-dien-3,7-dione
4E-9beta-angeloyloxy-2alpha-hydroxy-7alpha,10alphaH-germacra-4,11(13)-dien-12,6alpha-olide
ent-18-acetoxy-7alpha,14beta-dihydroxykaur-16-en-15-one
3beta,6-dihydroxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide|sculponin T
9-<3-methylvaleryloxy>-trans-7,8-epoxyanol isovalerate
(+)-(1R,3S,5S,6S,7S,10R)-1-hydroxy-3-isovaleroyloxyeudesman-4 (15),11(13)-dien-6,12-olide|argyinolide J
1alpha-angeloyloxy-6beta-hydroxy-11betaH-eremophil-7-en-(12,8)-olide|melanothyrsin D
3-oxo-11alpha-hydroxyleukamenin E|7alpha,11alpha,14beta-trihydroxyent-kaur-16-ene-3,15-dione
(ent-6alpha,11alpha)-6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid
3beta-angeloyloxy-6beta,15-dihydroxy-10betaH-furoeremophilane
ent-6|A,9|A-Dihydroxy-15-oxokaur-16-en-19-oic acid
6alpha-angeloyloxy-8alpha-hydroxy-eremophil-7(11)-en-12,8beta-olide|ligusongaricanolide A
2alpha-isovaleryloxy-3,8-dioxo-4beta,5beta-epoxy-beta-bisabolene
3-(2-Methylbutanoyl)-(1(10)E,3beta,4alpha,5beta,6alpha)-4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide
ent-2alpha-Hydroxy-cis-3-clerodene-15,16:19,6beta-diolide
10alpha,16alpha,17-trihydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid gamma-lactone|10??,16??,17-Trihydroxy-9??-methyl-15-oxo-20-nor-kauran-19-oic acid ??-lactone
3beta,7alpha,14beta-trihydroxykaur-16-ene-12,15-dione|pseurata G
2alpha-hydroxy-8beta-tigloyloxy-11beta,13H-germacra-1(10)E.4E-dien-12.6alpha-olide
2,7,7,10-Tetramethyl-4-pentyl-7H-benzo[c]furo[2,3-f]chromene #
3alpha,4:18,19-diepoxy-19-hydroxy-cis-cleroda-13(14)-ene-15,16-olide
2-hydroperoxysarcophine|rel-(1aR,4E,11E,14aR)-2,3,6,7,10a,13,14,14a-octahydro-10a-hydroperoxy-1a,5,8,12-tetramethyloxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one
9-(2-methylbutanoyl) (1(10)E,4E,6alpha,8alpha,9alpha)--6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide
6R,7R-Epoxide-(1(9)E,4S,6E,10R)-4-Hydroxy-19-oxo-1(9),6,13-xenicatrien-18,17-olide
8S,12S-epoxy-7R,16-dihydroxyhalima-5(10),13-dien-15,16-olide|ent-8S,12S-Epoxy-7R,16-dihydroxyhalima-5(10),13-dien-15,16-olide
2-(3,7-dimethylocta-2,6-dienyl)-5-(2-phenylethenyl)benzene-1,3-diol
2alpha-hydroxy-9beta-O-methylbutanoyl-1(10),4,11(13)-germacratrien, 6alpha,12-olide
(2abeta,3alpha,5abeta,6beta,7alpha,8aalpha)-6-[2-(3-furanyl)ethyl]-2a,3,4,5,5a,6,7,8,8a,8b-decahydro-2a,3-dihydroxy-6,7,8b-trimethyl-2H-naphtho[1,8-bc]furan-2-one
9-isovaleryloxy-trans-7,8-epoxyanol-<3-methylvalerate>
9alpha,16xi-dihydroxy-6-oxo-7,13-labdadien-15,16-olide|solicanolide
5alpha-hydroxy-15-isovaleryloxy-germacra-1(10)E,3Z,11(13)-trien-12,8alpha-olide
1alpha-hydroxy-3alpha(2-methylbutanoyloxy)-isoalantolactone
1alpha-hydroxy-6beta-isovaleryloxy-10alphaH-9-oxofuranoeremophilane
3beta-angeloyloxy-8-oxo-eremophil-6(7)-en-12-oic acid|eremofarfuginoic acid
4alpha-hydroxy-2alpha-isovaleryloxy-1alpha,10betaH-guaia-5,11(13)-dien-8alpha,12-olide
9-(3-methylbutanoyl)-(1(10)E,4E,6alpha,8alpha,9alpha)-6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide
8beta-(2-methylbutyryloxy)-14-oxo-11beta,13-dihydroacanthospermolide|8beta-<2-methylbutyryloxy>-14-oxo-11beta,13-dihydroacanthospermolide
14,15-Dihydro,14-oxo-8,20-Dihydroxy-14-serrulaten-19-oic acid|8,20-dihydroxy-14-oxo-serrulatan-19-oic acid
7-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-5-(2-phenylethyl)-2H-1-benzopyran
4beta-Hydroxy-4,5-beta-dihydro-6-O-senecioylsteiractinolid
11beta-acetoxy-5alpha-propionyloxy-silphinen-3-one
9alpha-(2-methylbutyryloxy)-desacetyl laurenobiolide
4-Deoxy-4α-phorbol
15-Hydroxypinusolidic acid
Bexarotene
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6073; ORIGINAL_PRECURSOR_SCAN_NO 6071 CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6096; ORIGINAL_PRECURSOR_SCAN_NO 6094 CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6097; ORIGINAL_PRECURSOR_SCAN_NO 6096 CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6100; ORIGINAL_PRECURSOR_SCAN_NO 6095 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3295
C20H28O5_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]acetyl]
C20H28O5_2-(3-Furyl)-7,8-dihydroxy-6a,7,10b-trimethyldodecahydro-4H-benzo[f]isochromen-4-one
C20H28O5_2(3H)-Furanone, 5-[4-[1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl]butyl]dihydro
C20H28O5_Gibbane-1,10-dicarboxylic acid, 2-hydroxy-1,4a-dimethyl-8-methylene-, (1alpha,2beta,4aalpha,4bbeta,10beta)
C20H28O5_7,10-Methano-1H-benzocycloundecene-4-carboxylic acid, 2,3,4,4a,5,6,9,10,11,12,13,13a-dodecahydro-14-hydroxy-4,13a-dimethyl-9,13-dioxo-, methyl ester, (4R,4aS,10R,13aR)
Tobramycin ion source fragment BCX, ring A fission
Roxane
C19H28N2O4 (348.20489680000003)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
GA110
GA112
3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide
Bakkenolide C
3b-Hydroxy-6b-tigloyloxy-7(11)-eremophilen-12,8b-olide
WE 20:6;O3
(2R,5R,8R,9S,10R)-2alpha-hydroxy-cleroda-3,13-dien-16,15-olide-18-oic acid
(2R,5R,8R,9S,10R)-2beta-hydroxy-cleroda-3,13-dien-16,15-olide-18-oic acid
Gibberellin A53
A C20-gibberellin, initially identified in Vicia faba, that is gibberellin A12 in which a hydroxy substituent is present at the 7alpha- position.
Gibberellin A15
BENZYL 4-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PIPERIDINE-1-CARBOXYLATE
C19H28N2O4 (348.20489680000003)
(R)-1-Boc-3-(Cbz-amino-methyl)-piperidine
C19H28N2O4 (348.20489680000003)
4-(carboxy-p-tolyl-methyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
C19H28N2O4 (348.20489680000003)
Carpindolol
C19H28N2O4 (348.20489680000003)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
TERT-BUTYL 4-(((BENZYLOXY)CARBONYL)AMINO)-4-METHYLPIPERIDINE-1-CARBOXYLATE
C19H28N2O4 (348.20489680000003)
(-)-6beta-Hydroxy-5beta,8beta,9beta,10alpha-cleroda-3,13-dien-16,15-olid-18-oic acid
CARBAMIC ACID, [TRANS-4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]CYCLOHEXYL]-, PHENYLMETHYL ESTER
C19H28N2O4 (348.20489680000003)
Methyl 1-Benzyl-4-(Boc-amino)piperidine-4-carboxylate
C19H28N2O4 (348.20489680000003)
(3-METHYL-PIPERAZIN-1-YL)-PHENYL-METHANONE
C19H28N2O4 (348.20489680000003)
(4-BENZYL-MORPHOLIN-2-YLMETHYL)-ETHYL-AMINE
C19H28N2O4 (348.20489680000003)
5-(4-Nitrosopiperazin-1-yl)-2,2-diphenylpentanenitrile
C21H24N4O (348.19500139999997)
benzyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
C19H28N2O4 (348.20489680000003)
1-N-Cbz-4-Boc-(Aminomethyl)piperidine
C19H28N2O4 (348.20489680000003)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-phenyl- (9CI)
C21H24N4O (348.19500139999997)
2-(4-Boc-piperazinyl)-4-phenylbutanoic acid
C19H28N2O4 (348.20489680000003)
1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate
C19H28N2O4 (348.20489680000003)
(6aS,10aR)-6,6,9-trimethyl-3-phenethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Pyrazolo(4,3:6,7)cyclohepta(1,2-b)pyrrolo(2,3-f)indol-9(2H)-one, 8-ethyl-4,5,6,8,10,12-hexahydro-3,10,10-trimethyl
C21H24N4O (348.19500139999997)
(Z)-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
7-[(4-Ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol
C21H24N4O (348.19500139999997)
N-(4-fluorophenyl)-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]acetamide
21-Fluoro-11-hydroxy-pregn-4-ene-3,20-dione, (11beta)-
9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione
8-(Hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
(4R,5E,7Z,12S,14Z)-4,12-Dihydroxy-9-oxo-5,7,10,14-prostatetren-1-oic acid
(4R)-3,4,5-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methylpropanoyl)-2,5-cyclohexadien-1-one
(1R,2S,3S,4R,6S,8R,9R,12R)-4-formyl-6-hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2-carboxylic acid
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethylspiro[oxirane-2,13-tetracyclo[10.2.1.01,9.03,8]pentadecane]-2,4-dicarboxylic acid
(1R,2R,4R,8S,12R)-4,8-dimethylspiro[oxirane-2,13-tetracyclo[10.2.1.01,9.03,8]pentadecane]-2,4-dicarboxylic acid
(1R,2S,5R,8R,9S,10S,11R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Platencinic acid glycerol ester
A natural product found in Streptomyces platensis.
(7R,8S,9R,10As)-9-hydroxy-7,8-dimethyl-7-[2-(5-oxooxolan-3-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
1-[(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-4-piperidinecarboxamide
C21H24N4O (348.19500139999997)
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetyl]-2H-furan-5-one
methyl (4S,5R,9R,13R)-16-hydroxy-5,9-dimethyl-10,14-dioxotricyclo[11.2.1.04,9]hexadec-1(15)-ene-5-carboxylate
sinularolide B
A cembrane diterpenoid isolated from Sinularia gibberosa and has been found to exhibit antineoplastic activity.
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamide
C21H24N4O (348.19500139999997)
6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
cyclopentyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
C21H24N4O (348.19500139999997)
3-[1-(Benzyloxy)ethyl]-2-(ethoxycarbonyl)-5-hexenoic acid ethyl ester
(2R,3S,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-[(Z)-2-hydroxyethenoxy]cyclohexyl]oxyoxan-3-ol
[3-(3-Acetyloxy-2-butanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
[1-Carboxy-3-[2,3-di(propanoyloxy)propoxy]propyl]-trimethylazanium
Intoplicine
C21H24N4O (348.19500139999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Gibberellin A110
A C20-gibberellin that is gibberellin A12 carrying an additional hydroxy substituent at the 3beta-position
Eunicea sesquiterpenoid 7
A sesquiterpenoid that is a carboxylic ester obtained by the formal condensation of the 6-hydroxy group of cyclodec-4-en-1-one which is also substituted by an acetyl, a methyl and a methylidene group at positions 7, 4 and 10 respectively with the carboxy group of pent-2-enoic acid substituted with a hydroxy and a methyl group at position 4. It is an antiplasmodial drug isolated from a Caribbean gorgonian coral Eunicea sp.
18-oxoresolvin E1
A nonclassic icosanoid that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid carrying two hydroxy groups at positions 5 and 12 as well as an oxo group at position 18.
bixin dialdehyde
An apo carotenoid that is the dialdehyde obtained by reduction of the terminal methyl ester and carboxy groups of bixin.
BDP9066
BDP9066 is a potent and selective myotonic dystrophy-related Cdc42-binding kinase MRCK inhibitor with an IC50 of 64 nM for MRCKβ in SCC12 cells, Ki values of 0.0136 nM and 0.0233 nM for MRCKα/β in house determinations, respectively. BDP9066 has therapeutic effect on skin cancer by reducing substrate phosphorylation.