Exact Mass: 306.1678
Exact Mass Matches: 306.1678
Found 500 metabolites which its exact mass value is equals to given mass value 306.1678,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Capsiate
Capsiate is a carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. It has a role as a plant metabolite, a hypoglycemic agent, an anti-allergic agent, an antioxidant, an angiogenesis inhibitor, an anti-inflammatory agent and a capsaicin receptor agonist. It is a carboxylic ester, a monomethoxybenzene and a member of phenols. It is functionally related to a vanillyl alcohol. Capsiate is a natural product found in Apis cerana with data available. A carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. Constituent of fruits of Capsicum annuum. Capsiate is found in many foods, some of which are orange bell pepper, herbs and spices, yellow bell pepper, and italian sweet red pepper. Capsiate is found in fruits. Capsiate is a constituent of fruits of Capsicum annuum Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1]. Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1].
Dipentyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10474; ORIGINAL_PRECURSOR_SCAN_NO 10473 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10545; ORIGINAL_PRECURSOR_SCAN_NO 10543 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10558; ORIGINAL_PRECURSOR_SCAN_NO 10557 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10489; ORIGINAL_PRECURSOR_SCAN_NO 10487 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10535; ORIGINAL_PRECURSOR_SCAN_NO 10530 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10434; ORIGINAL_PRECURSOR_SCAN_NO 10431 Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1]. Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1].
Bz-Arg-OEt
KEIO_ID B026; [MS3] KO008890 KEIO_ID B026; [MS2] KO008889 KEIO_ID B026
N1-trans-Feruloylagmatine
N1-trans-Feruloylagmatine is found in cereals and cereal products. N1-trans-Feruloylagmatine is isolated from Triticum aestivum (wheat) exposed to low temps. Isolated from Triticum aestivum (wheat) exposed to low temps. N1-trans-Feruloylagmatine is found in wheat and cereals and cereal products.
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-6-methylbenzene-1,2,4-triol
koumine
15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene is a member of indoles. CID 5318846 is a natural product found in Gelsemium elegans with data available. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2]. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2].
5'-Carboxy-gamma-chromanol
5-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk.
1-(beta-D-Glucopyranosyloxy)-3-octanone
1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits. 1-(beta-D-Glucopyranosyloxy)-3-octanone is a constituent of the fruit of Carica pubescens (mountain papaya) Constituent of the fruit of Carica pubescens (mountain papaya). 1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits.
(1R,10R,12S,15S,16R,17S)-15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Inproquone
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
2,3,5,10,15,17,18,19,22,23-Decahydro-1H-corrin
Propentofylline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivatives D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
koumine
Annotation level-1 Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2]. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2].
propentofylline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivatives D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
(8beta,11E)-form-8,17-Epoxy-15,16-dinor-13-oxo-11-labden-19-oic acid
3beta-angeloyloxy-10beta-hydroxy-8-oxo-eremophil-6(7)-en
(3aS,5R,7aR)-4,4,7a-trimethyl-7a-hydroxymethyl-2-oxo-2,3,3a,4,5,7a-hexahydrobenzo[b]furan-5-yl-3,4-dimethyl-3-pentenoate|3-teracrylmelazolide B
(1S,9R,11S)-14-methoxy-12-acetoxycaryophylla-2(15),5Z-dien-7-one
3-(2,3-dihydroxy-3-methyl-butyl)-5-(3-methyl-2-butenyl)-4-hydroxyacetophenone
(13E,15E)-Chromomoric acid D|(13Z,15E)-Chromomoric acid D
methyl 2-chloro-2-carboxy-6,10-dimethylundecanoate
1-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-decen-3-one|O-methyldehydrogingerol
(R)-7-butyl-6,8-dihydroxy-3-pentylisochroman-1-one
1-Ac-(1beta,8beta)-1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide
Asperentin 6-methyl ether|Asperentin-6-O-methylaether
(5R,6R,7R,8S,10R)-8-acetoxy-15-hydroxyelema-1,3,11(13)-trien-6,12-olide
6-(3-ethoxy-2-hydroxy-3-methyl-butyl)-7-methoxy-chromen-2-one
3-geranyl-4-hydroxy-6-(2-hydroxypropyl)-2-pyrone|aurantiacone|geranyl-alpha-pyrone (+/-)-aurantiacone
12-acetoxy-5beta-methoxy-6(14)-dehydro-5,6-dihydrocaryophyllen-7-one
8alpha-Acetoxy-3,4-didehydro-4,5-dihydro-5alpha-hydroxyosmitopsin
8beta-acetoxy-14-oxo-11beta,13-dihydroacanthospermolide
3,5-Bis(2-hydroxy-3-methyl-3-butenyl)-4-hydroxybenzoic acid
5alpha-Acetoxy-1beta,4beta-epoxygermacra-10(14),11-dien-12,8alpha-olid
14-acetoxy-4beta-hydroxy-5alphaH-guaia-1(10),2-dien-12,6alpha-olide
Propanoyl-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
(1S,5S,6S,7S,10R)-1-hydroxy-15-acetoxyeudesma-4(15),11(13)-dien-6,12-olide
(11R)-6alpha-acetoxy-8beta-hydroxy-3-oxo-1beta-guai-4-en-12-oic acid-lactone|(11R)-6alpha-Acetoxy-8beta-hydroxy-3-oxo-1beta-guaj-4-en-12-saeure-lacton|geigerin acetate
2-(1beta-geranyl-5beta-hydroxy-2-oxocyclohex-3-enyl)acetic acid|2-(1??-Geranyl-5??-hydroxy-2-oxocyclohex-3-enyl)acetic acid
1beta,13,14,15-tetrahydroxy-8,11,13-podocarpatrien-7-one
3beta-acetoxy-2-oxo-eremophila-1(10),11(13)-dien-12-oic acid
2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acid
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Fenazaquin
CONFIDENCE Reference Standard (Level 1); Source fenazaquin_30102013_12_HCD30_pos.txt
C17H22O5_Cyclodeca[b]furan-2(3H)-one, 10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-(hydroxymethyl)-3-methylene-, (3aS,6Z,10Z,11aR)
C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl acetate
C17H22O5_3-(12-Hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid
C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate
C17H22O5_(3R,3aR,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
(9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate
[(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
[(3aS,6Z,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
1COOH-2But-A7EO2-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based: Match]
[(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate_major
Latanoprost Lactol
1-(b-D-Glucopyranosyloxy)-3-octanone
capsiate
Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1]. Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1].
Achillicin
(2E)-N-(4-Acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
(-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
Ruxolitinib
D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EJ - Janus-associated kinase (jak) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(8-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPANOIC ACID
1-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-1-((TERT-BUTYLDIMETHYLSILYL)OXY)PROPAN-2-AMINE
methyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate
Urea, N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-N-(3-methylphenyl)- (9CI)
4-(3-Ethylthioureido)phenylboronic acid, pinacol ester
furan-2,5-dione compound with propane-1,2-diol and 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene (1:1:1)
tert-Butyl 5-fluorospiro[indoline-3,4-piperidine]-1-carboxylate
2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl]-dimethylazanium,dichloride
2,2,4,4,6,6-Hexaethyl-1,3,5,2,4,6-trioxatrisilinane
(4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)BORONIC ACID
3-Ethoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
3-benzo[1,3]dioxol-5-yl-piperazine-1-carboxylic acid tert-butyl ester
Tert-Butyl 5-Fluorospiro[Indoline-3,4-Piperidine]-1-Carboxylate
4-[(2,4-Dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
BENZYL 4-(METHOXY(METHYL)CARBAMOYL)PIPERIDINE-1-CARBOXYLATE
METHYL 3-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
2-Ethoxycarbonylmethoxy-4-(3-methyl-2-butenyloxy) acetophenone
(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE
2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-3-pyridinecarboxylic acid ammonium salt
1-methoxy-1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID
1-(2-{2-[(Allyloxy)methyl]-4-nitrophenoxy}ethyl)pyrrolidine
ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETATE
1H-Benzotriazole,1-[(3S,5R,7aR)-hexahydro-3-phenylpyrrolo[2,1-b]oxazol-5-yl]-
tert-Butyl 4-(3-formyl-4-hydroxyphenyl)piperazine-1-carboxylate
1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID
5-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-5-OXO-PENTANOIC ACID
N-Isopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
1-(1-Piperazinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ACETIC ACID ETHYL ESTER
(+)-1,2-bis-((2S,5S)-2,5-Dimethylphospholano)benzene
1-Piperazinecarboxylic acid, 4-[6-(formylamino)-3-pyridinyl]-, 1,1-dimethylethyl ester
Deuruxolitinib
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 > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile
Corrin
A corrin is a macrocycle related to the porphyrin ring in hemoglobin, consisting of 4 pyrrole subunits, joined on opposite sides by a C-CH3 methylene link, on one side by a C-H methylene link, and with the two of the pyrroles joined directly. Compared to a porphyrin, it is missing a bridging methylene group between a pair of pyrroles. This ring is central to the cobalt containing vitamin, vitamin B12, or cobalamin. Corrins have properties related to porphyrins. An example of a corrinoid is cyanocobalamin. Cyanocobalamin is an especially common vitamer of the B-12 vitamin family. [HMDB]
(3R,4R)-(-)-6-methoxy-1-oxo-3-n-pentyl-3,4-dihydro-1H-isochromen-4-yl-acetate
A member of the class of isochromanes that is 3,4-dihydroisocoumarin substituted by an acetoxy group at position 4, a methoxy group at position 6 and a pentyl group at position 3. Isolated from Xyris pterygoblephara, it exhibits activity against dermatophyte fungi.
Monoisodecyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isodecanol.
N-isopropyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
N~3~-[3-(5-Methoxypyridin-3-Yl)benzyl]pyridine-2,3-Diamine
(1S,7S,8S,8AR)-1,2,3,7,8,8A-Hexahydro-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-HY droxy-6-oxo-2H-pyran-2-YL]ethyl]-1-naphthalenol
trans-2-Hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxy group at position 3, a hydroxyisopropyl group at position 2, a carboxy group at position 5 and a prenyl group at position 7 (the 2S,3S stereoisomer) . Isolated from the rhizomes of Atractylodes lancea, it exhibits cytotoxicity against cancer cell lines HCT-116 and MKN-45.
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
[3-Carboxy-2-(4-carboxy-3-hydroxypentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(5-carboxy-3-hydroxypentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-carboxy-3-hydroxypentanoyl)oxypropyl]-trimethylazanium
(S)-1-Methyloctyl Caffeate
An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with nonan-2-ol. Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity.
N-dodecanoyltaurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-dodecanoyltaurine; major species at pH 7.3.
6Alpha-Acetoxyisoinuviscolide
A sesquiterpene lactone that is 3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8, a methylidene group at position 3 and an acetoxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis.
[(3S,3aR,4S,6R,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
4-[[4-(1-Pyrrolidinyl)-2-quinazolinyl]amino]phenol
N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
14-Hydroxyplatensic Acid
A polycyclic cage that is the 14-hydroxy derivative of platensic acid. It is isolated from Streptomyces platensis.
1-[5-[2-(tert-butylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-3-pyrrolyl]ethanone
N-[(E)-benzylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
6-[1-oxo-3(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-hydroxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.
(4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
(3R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyoctanoic acid
(3R,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyoctanoic acid
(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-3-(pyrimidin-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
6-[4-(5,5-Dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid
(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2-methylpentanoic acid
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6-trihydroxybenzoic acid
[(3aS,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
Feruloylagmatine
A member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine.
[1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate
[(1R,3aS,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Diamyl phthalate
Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1]. Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1].
methyl 2-[7-(acetyloxy)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoate
[(1r,3s,4s,5s,7r)-10-methylidene-9-oxo-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0³,⁵]decan-5-yl]methyl acetate
14-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-2-benzoxacyclododecine-1,11,12-trione
[(3ar,4s,11ar)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl acetate
(1s,2s,4r,7e,9r,11s)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-9-yl acetate
[(1r,3s,5r,8z,11s)-5-methyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-9-yl]methyl acetate
(3ar,4r,9s,11ar)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
(3r)-6,8-dihydroxy-5-methyl-3-(6-oxoheptyl)-3,4-dihydro-2-benzopyran-1-one
[(1s,5e,9r,10s)-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate
{4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-10-yl}methyl acetate
(3as,4r,9r,11as)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-4-yl acetate
(1r,9r,12s,13e,17s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one
(3ar,4ar,5r,7s,7ar,9ar)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-7-yl acetate
[(1s,5r,10s)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxobicyclo[7.2.0]undecan-10-yl]methyl acetate
{6-methyl-3-methylidene-2,9-dioxo-octahydroazuleno[4,5-b]furan-9a-yl}methyl acetate
(4r,10e)-13-hydroxy-15-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2,3-benzodioxacyclotridecin-1-one
(1r,3r,5s,8r,11s)-5-methyl-9,14-dimethylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-8-yl acetate
5-[5-(furan-3-yl)-2-methyloxolan-2-yl]-2-methyl-4-oxopent-2-en-1-yl acetate
(3s,3ar,4s,6ar,9s,9ar,9br)-3,9-dimethyl-6-methylidene-2,8-dioxo-octahydro-3h-azuleno[4,5-b]furan-4-yl acetate
3,10-dimethyl-6-methylidene-2,7-dioxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl acetate
1,4-dimethyl (3ar,7r,8as)-7-isopropyl-6-oxo-3a,7,8,8a-tetrahydro-3h-azulene-1,4-dicarboxylate
5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-4-yl acetate
(10e)-13-hydroxy-15-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2,3-benzodioxacyclotridecin-1-one
2-{2,6-dihydroxy-7,7a-dimethyl-2h,6h,7h,7bh-naphtho[1,2-b]oxiren-1a-yl}prop-2-en-1-yl acetate
2-ethenyl-1,8a,10-trihydroxy-8,8-dimethyl-2,3,4,4b,5,6,7,10-octahydro-1h-phenanthren-9-one
(3ar,4s,6s,6as,9as,9br)-9a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,6ah,7h,9bh-azuleno[4,5-b]furan-4-yl acetate
(2r,9s,13s)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.0²,⁶.0¹²,¹⁵]pentadec-5-ene-3,11-dione
(5s)-3-{2-[(1s,4r,6r)-4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl}-5-(2-oxopropyl)-5h-furan-2-one
8-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
2-hydroxy-10,14-dimethyl-4,15,16-trioxahexacyclo[7.6.1.1²,⁵.1⁷,¹⁴.0¹,⁷.0⁹,¹³]octadecan-6-one
methyl (3s,8s,8ar)-3-(acetyloxy)-8-isopropyl-5-methyl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
(3r,6r)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol
(1s,4s,6r,8s,9z,11r)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate
(3ar,4ar,5r,7s,7as,9ar)-5-hydroxy-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-7-yl acetate
(1s,3s,5r,9s,11r)-3-methyl-8,12-dimethylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradecan-9-yl acetate
7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
[(3ar,4as,7as,8s,9ar)-8-methyl-3-methylidene-2,5-dioxo-octahydroazuleno[6,5-b]furan-4a-yl]methyl acetate
3-[(1s,5s,6r,7s,9r,12r)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propanoic acid
(2s)-nonan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2s,3r,5s,8s,10s)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadeca-1(12),14-dien-2-yl acetate
(1ar,2r,3r,3ar,5r,7bs)-3,3',3',3a-tetramethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate
9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate
methyl (1r,2s,5r,8r,9s,11s)-11-(acetyloxy)-2,5,9-trimethyltricyclo[6.3.0.0¹,⁵]undec-3-ene-3-carboxylate
5-formyl-2,4,4-trimethylcyclohexa-2,5-dien-1-yl 4-(acetyloxy)-3-methylbut-2-enoate
1-[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxy-5-(3-methylbut-2-en-1-yl)phenyl]ethanone
(3r)-8-hydroxy-6-methoxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one
(1s)-1-[(3as,7r,8as)-7-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-yl]-3-oxobutyl acetate
12-hydroxy-14-methoxy-3-methyl-4,6,7,8,9,10-hexahydro-3h-2-benzoxacyclododecine-1,5-dione
(3as,4as,7r,8r,8ar,9as)-7-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,7h,8h,9h,9ah-naphtho[2,3-b]furan-8-yl acetate
methyl 2-[(2r,4as,7s)-7-(acetyloxy)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoate
6-ethenyl-7-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-2-oxo-tetrahydro-3ah-1-benzofuran-4-yl acetate
butyl 3-{3-hydroxy-4-[(2-methylpropanoyl)oxy]phenyl}prop-2-enoate
octyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3-{4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-2-ene-2-carbonyl}-1h-indole
(4as,8r,8ar,9as)-9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-8-yl acetate
methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoate
[10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-yl]methyl acetate
6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl acetate
(2e)-n-(4-carbamimidamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
3-{12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl}propanoic acid
2-[5-(acetyloxy)-4-methyl-8-methylidene-7-oxocyclodec-3-en-1-yl]prop-2-enoic acid
5-[(1r,2s,4ar,6r,8r,8as)-1,6-dihydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]penta-2,4-dienoic acid
3,5,8-trimethyl-2,6-dioxo-3h,3ah,4h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
(2s)-2-[(7s,8r,8ar)-7-(acetyloxy)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
4-hydroxy-6-[2-(8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one
7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-4-yl acetate
(1r,2r,6s,7s,9r,12r,13r,15r)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.0²,⁶.0¹²,¹⁵]pentadec-4-ene-3,11-dione
[(1r,5z,9r,10s)-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate
9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-8-yl acetate
2-[(2r,7r,8r,8ar)-7-(acetyloxy)-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl]prop-2-enoic acid
9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-4-yl acetate
[(4s,6r,9e,11r)-4,9-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1(14),9-dien-14-yl]methyl acetate
(1r)-1-[(3as,7r,8ar)-7-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-yl]-3-oxobutyl acetate
3-methyl-8,12-dimethylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradecan-9-yl acetate
13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one
5-(1,2-dihydroxy-2,6,8-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl)penta-2,4-dienoic acid
(3as,7r,11s,11as)-7-hydroxy-6-methyl-3,10-dimethylidene-2-oxo-3ah,4h,7h,8h,9h,11h,11ah-cyclodeca[b]furan-11-yl acetate
methyl 2-[(5s,6r,7ar)-6-ethenyl-7a-methoxy-3,6-dimethyl-2-oxo-5,7-dihydro-4h-1-benzofuran-5-yl]prop-2-enoate
11,13-dehydrolanuginolide
{"Ingredient_id": "HBIN000272","Ingredient_name": "11,13-dehydrolanuginolide","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "CC1=CCCC2(C(O2)C3C(C(C1)OC(=O)C)C(=C)C(=O)O3)C","Ingredient_weight": "306.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4938","TCMSP_id": "NA","TCM_ID_id": "9403;21355","PubChem_id": "101241953","DrugBank_id": "NA"}
11,13-dihydroarteglasin a
{"Ingredient_id": "HBIN000274","Ingredient_name": "11,13-dihydroarteglasin a","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "NA","Ingredient_weight": "306.358","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9402","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide; (3α,4α,5α,6α,8α)-form,11β,13-dihydro,8-ac
{"Ingredient_id": "HBIN007473","Ingredient_name": "3,4-epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide; (3\u03b1,4\u03b1,5\u03b1,6\u03b1,8\u03b1)-form,11\u03b2,13-dihydro,8-ac","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8272","PubChem_id": "NA","DrugBank_id": "NA"}
3,5-0- dimethyl- gallate
{"Ingredient_id": "HBIN007522","Ingredient_name": "3,5-0- dimethyl- gallate","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "CC(=CCCC(=CCOC(=O)C1=CC(=C(C(=C1)O)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41548","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-teracrylmelazolide b
{"Ingredient_id": "HBIN009739","Ingredient_name": "3-teracrylmelazolide b","Alias": "NA","Ingredient_formula": "C18H26O4","Ingredient_Smile": "CC(=C(C)CC(=O)OC1C=CC2(C(C1(C)C)CC(=O)O2)C)C","Ingredient_weight": "306.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20951","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5321813","DrugBank_id": "NA"}
4,8-dihydroxy-1,9-guaiadien-12,6-olide; 8-ac
{"Ingredient_id": "HBIN010134","Ingredient_name": "4,8-dihydroxy-1,9-guaiadien-12,6-olide; 8-ac","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7881","PubChem_id": "NA","DrugBank_id": "NA"}
6β-acetoxyglechomafuran
{"Ingredient_id": "HBIN012252","Ingredient_name": "6\u03b2-acetoxyglechomafuran","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "CC1=COC2=C1C(C3C(O3)(CCC4C(C2)(O4)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "199","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-4-oxo-1(5),11(13)-xanthadien-12,8-olide; (6β,8β,10ξ)-form,ac
{"Ingredient_id": "HBIN012401","Ingredient_name": "6-hydroxy-4-oxo-1(5),11(13)-xanthadien-12,8-olide; (6\u03b2,8\u03b2,10\u03be)-form,ac","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "NA","Ingredient_weight": "306.35","OB_score": "NA","CAS_id": "79383-84-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7551","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-ethoxy-3'-hydroxy-3'-methyl-butyl)coumarin
{"Ingredient_id": "HBIN013325","Ingredient_name": "7-methoxy-8-(2'-ethoxy-3'-hydroxy-3'-methyl-butyl)coumarin","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "CCOC(C)(C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-hydroxy-3'-ethoxy-3'-methyl-butyl)coumarin
{"Ingredient_id": "HBIN013328","Ingredient_name": "7-methoxy-8-(2'-hydroxy-3'-ethoxy-3'-methyl-butyl)coumarin","Alias": "7-methoxy-8-(2'-hydroxy-3'-ethoxy-3'-methylbutyl)coumarin","Ingredient_formula": "C17H22O5","Ingredient_Smile": "CCOC(C)(C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13951;31550","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arnicolode a
{"Ingredient_id": "HBIN016872","Ingredient_name": "arnicolode a","Alias": "NA","Ingredient_formula": "C17H22O5","Ingredient_Smile": "CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30336","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aurantiacone
{"Ingredient_id": "HBIN017352","Ingredient_name": "aurantiacone","Alias": "NA","Ingredient_formula": "C18H26O4","Ingredient_Smile": "CC(CC1=CC(=C(C(=O)O1)CC=C(C)CCC=C(C)C)O)O","Ingredient_weight": "306.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2007","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "54686940","DrugBank_id": "NA"}
