Exact Mass: 282.16784459999997
Exact Mass Matches: 282.16784459999997
Found 500 metabolites which its exact mass value is equals to given mass value 282.16784459999997
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Miltirone
Constituent of roots of Salvia miltiorrhiza (Chinese sage)and is) also present in leaves of rosemary (Rosmarinus officinalis). Antioxidant. Miltirone is found in herbs and spices, rosemary, and common sage. Miltirone is found in common sage. Miltirone is a constituent of roots of Salvia miltiorrhiza (Chinese sage). Also present in leaves of rosemary (Rosmarinus officinalis). Antioxidant Miltirone is an abietane diterpenoid. Miltirone is a natural product found in Salvia, Salvia miltiorrhiza, and other organisms with data available. Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1]. Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1]. Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1].
Malonoben
D000970 - Antineoplastic Agents > D020032 - Tyrphostins Malonoben is an Agricultural acaricide, now supersede Agricultural acaricide, now superseded
Milnacipran hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
2-hydroxydesipramine
2-hydroxydesipramine is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia) D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
Hexaethylene glycol
Hexaethylene glycol belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol
(-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol is found in beverages. (-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol is a constituent of the rhizomes of Curcuma xanthorrhiza (Java turmeric). Constituent of the rhizomes of Curcuma xanthorrhiza (Java turmeric). (-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol is found in herbs and spices, beverages, and root vegetables.
Lactapiperanol C
Lactapiperanol A is found in mushrooms. Lactapiperanol A is a constituent of Lactarius piperatus. Constituent of Lactarius piperatus. Lactapiperanol C is found in mushrooms.
(6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid
(6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid, also known as 3-oxo-8(R)-hydroxy-hexadeca-6E,10Z-dienoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.
(6E,8S,10Z)-8-hydroxy-3-oxohexadecadienoic acid
(6E,8S,10Z)-8-hydroxy-3-oxohexadecadienoic acid, also known as 3-oxo-8(S)-hydroxy-hexadeca-6E,10Z-dienoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.
Androsta-1,4,6-triene-3,17-dione
Fumagillol
Fumagillol is a direct precursor of fumagillin. Fumagillin, as an antimicrobial agent, is a potent and selective inhibitor of angiogenesis[1].
(3S,5S)-trans-3,5-dihydroxy-1,7-diphenyl-1-heptene
1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-yl)-3-hydroxypropane-1-one
4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
(2R*,3R*,4aR*,5R*,6R*,8aR*)-octahydro-5,6-dihydroxy-2,4a,5-trimethyl-2H-spiro[furan-3,1-naphthalen]-5(4H)-one|crotinsulactone
4-[[2-(1-Hydroxy-1-methylethyl)-5-methyltetrahydrofuran]-5-yl]-1-cyclohexene-1-carboxylic acid methyl ester
5-(5-hydroxy-4,8-dimethyl-3,7-nonadienyl)-4-hydroxy-5-methyldihydrofuran-2-one|mutisifuranone A
Ac-(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol|all-trans-6-Acetoxyheptadeca-1,7,9,15-tetraen-11,13-diin
(5E)-2-ethylimino-5-(1H-indol-3-ylmethylidene)-1,3-dimethylimidazolidin-4-one
2-acetyl-2,3,4,9-tetrahydrospirocyclohexane-1,1-(1H)pyrido<3,4-b>indole|2-acetyl-2,3,4,9-tetrahydrospirocyclohexane-1,1-(1H)pyrido[3,4-b]indole|acetylkomavine
2,6,10-Trimethyl-3,5-dioxy-7,10-epoxydodeca-1,11-dien-5-ol
Me ester-8-Hydroxy-9-oxo-2-bisabolen-15-oic acid|Methyl 4-(2-hydroxy-1,5-dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylate
8-hydroxymethyl-6-methoxy-4,11,11-trimethylbicyclo[7.2.0]undeca-4,7-diene-1,2-diol|fuscoatrol A
Me ester-(E,E,E)-3,9,11,17-Octatetraene-5,7-diynoic acid
3alpha-hydroxyilicic acid methyl ester|methyl-3alpha,4alpha-dihydroxyeudesm-11(13)-en-5alpha,7alphaH-12-oate
(1R,2R,3E,5R)-5-hydroxy-5-methyl-9-oxo-2-(propan-2-yl)cyclodec-3-en-1-yl acetate|(5E)-8beta-acetoxy-4alpha-hydroxy-7betaH-germacr-5-en-10-one
(2E,6S,7S,10R)-juvenile hormone III bisepoxide|JHB3|juvenile hormone III bisepoxide|methyl (2E,6E)-6,7;10,11-bisepoxy-3,7,11-trimethyl-2-dodecenoate
Me ether-(()-3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one|Me ether-8alpha-(()-3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one
9alpha-isopropenyl-6,7alpha-dimethyl-8-oxa-ergoline|Paspaclavin|Paspaclavine
4-Formylathrixianon|4-Formylathrixianone|4-formylathrixinone
Bisaborosaol E1/E2|Methyl-7,10-Dihydroxy-2,11-bisaboladien-15-oic
Me ether-3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
8-hydroxy-5-(2-hydroxy-ethyl)-1,4a-dimethyl-6-methylene-decahydronaphthalene-1-carboxylic acid|SAD|scoparic acid D
Gelcohol
Fumagillol is a direct precursor of fumagillin. Fumagillin, as an antimicrobial agent, is a potent and selective inhibitor of angiogenesis[1].
(4S,4S)-3,4-Dihydroxy-2-(4-hydroxy-2-decenyl)-2-cyclohexen-1-one
Me ester-(5alpha,6alpha,8alpha,9beta,10beta)-5,6-Epoxy-8-hydroxy-11-drimanoic acid
Me ester-3-Hydroxy-9-oxo-1-bisabolen-15-oic acid|Methyl 1-hydroxy-4-(1(S),5-dimethyl-3-oxohexyl)-2-cyclohexene-1-carboxylate|Methyl 1-hydroxy-4-<1(S),5-dimethyl-3-oxohexyl>-2-cyclohexene-1-carboxylate
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
Miltiron
Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1]. Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1]. Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1].
C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
HEXAETHYLENE GLYCOL
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IIRDTKBZINWQAW-UHFFFAOYSA-N_STSL_0212_Hexaethylene glycol_0125fmol_190326_S2_LC02MS02_031; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based on: CCMSLIB00000846680]
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based: Match]
hexaethyleneglycol
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 13
Lactapiperanol C
Tipropidil
Anguidol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Epidihydrophaseic acid
Oxyhumulinic acid
Pisumic acid
Bisbynin
4,8-Dihydroxy-6-(hydroxymethyl)-6,8-dimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one
Juvenile hormone III skipped bisepoxide
A juvenile hormone that is methyl farnesoate in which the 2,3 and 10,11-double bonds have been epoxidised. Found in the stink bug, Plautia stali.
6-ethyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane
2-[cyclopentylmethyl(ethyl)amino]quinoline-3-carbaldehyde
5-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester
6-methylpyridine-2-boronic acid n-phenyldiethanolamine ester
trans-1-Ethoxy-2,3-difluoro-4-(4-propyl-cyclohexyl)-benzene
1-[2-(METHOXYMETHOXY)ETHYL]-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
(1R,2R)-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide hydrochloride
Tert-butyl 2-(aminomethyl)-4,5-dimethoxyphenylcarbamate
1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate
tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
diethyl 2-ethyl-4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate
Vedaprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents
BIS-TRIS PROPANE
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
tert-Butyl 4-(2,2,2-trifluoro-1-aminoethyl)piperidin-1-carboxylate
tert-Butyl[4-(dimethoxymethyl)phenoxy]dimethylsilane
1-(2,2-DIMETHOXYETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether
4-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester
tert-butyl 4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxyl ate
1,4,6-androstatrien-3,17-dione
An androstanoid that is androsta-1,4,6-triene substituted by oxo groups at positions 3 and 17. D004791 - Enzyme Inhibitors
2-(5-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)PYRAZIN-2-YL)PROPAN-2-OL
Mepivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
1-Chloro-2-fluoro-4-(trans-4-pentylcyclohexyl)benzene
1-(6-HYDROXY-2,4-DIISOPROPOXY-3-METHOXYPHENYL)ETHANONE
7H-Pyrrolo[2,3-d]pyriMidine-7-propanol,4-aMino-5-(4-Methylphenyl)-
4-tert-butylphenol,formaldehyde,2-methyloxirane,oxirane
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8,10-dioxo-, 1,1-dimethylethyl ester
1-methoxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-5-yl]propan-2-ol
4-acetamidobenzoic acid,1-(dimethylamino)propan-2-ol
N-Isopropyl-N-methyl-5-methoxytryptamine hydrochloride
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine,hydrochloride
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
8-Hydroxy-2-(1-hydroxyheptyl)-2,3,4,6,7,8-hexahydrochromen-5-one
12-Hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
4-(3-Methyl-2-butenyl)-5-phenethylbenzene-1,3-diol
methyl (2E)-5-[(2S,3S)-3-{2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl}-3-methyloxiran-2-yl]-3-methylpent-2-enoate
(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
Fumagillol
Fumagillol is a direct precursor of fumagillin. Fumagillin, as an antimicrobial agent, is a potent and selective inhibitor of angiogenesis[1].
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)acetamide
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide
Merulin C, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
8-Hydroxy-4-(2-hydroxypropan-2-yl)-10-oxatricyclo[7.2.1.01,5]dodec-3-ene-8-carboxylic acid
(4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
N-cycloheptyl-2-(cyclohexylamino)-2-sulfanylideneacetamide
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
N-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2-naphthalenylamino)acetohydrazide
3-Amino-7-(diethylamino)-2-methylphenoxazin-5-ium
C17H20N3O+ (282.16062900000003)
(Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-isocyanoprop-2-enenitrile
(1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
3-ethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzoxazol-3-ium
methyl (2E,6E)-9-[(2R,3R)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
(1R,4S,5R,8R,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
3,5-Dimethoxy-4,6-dimethyl-(6S)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3,5-Dimethoxy-2,6-dimethyl-(6R)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3-(Ethoxycarbonyl)-6-isopropylhexahydro-2H-cyclohepta[b]furan-2,8(8aH)-dione
1-(Trimethylsilyl)-4-oxodecahydronaphthalene-1-carboxylic acid methyl ester
2-Hydroxydesipramine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
Scirpentriol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(-)-(E)-1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol
3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid
juvenile hormone III bisepoxide
A juvenile hormone that is methyl farnesoate in which the 6,7 and 10,11-double bonds have been epoxidised.
(1r,5r,6r,8r,10s,13r,14r)-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradec-2-ene-8,13,14-triol
5-acetyl-3,5-dimethoxy-2-methyl-4-(2-methylbutanoyl)cyclopent-2-en-1-one
11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodecan-3-one
2-isopropyl-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-1,4-dione
5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol
3-hydroxy-7-(hydroxymethyl)-4-(3-hydroxypropanoyl)-3-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2-one
(2s,3e,6r)-6-hydroxy-2-(hydroxymethyl)-6-[(1r)-4-methyl-5-oxocyclohex-3-en-1-yl]hept-3-enoic acid
methyl (3e,9e,11e)-octadeca-3,9,11,17-tetraen-5,7-diynoate
1,9-dihydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-3-ene-2,8-dione
2,6-dimethoxy-4-(5-methoxy-3,4-dimethyloxolan-2-yl)phenol
methyl (5s)-5-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate
(1s,2s,4r,8r,9r,11r)-1,9-dihydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
3a-methoxy-6,6,9a-trimethyl-1h,3h,5ah,7h,8h,9h-naphtho[1,2-c]furan-1,9b-diol
5-hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl 2-methylbut-2-enoate
(3s,3ar,4s,5as,6r,9as,9bs)-4,6,9a-trihydroxy-3,5a-dimethyl-9-methylidene-octahydronaphtho[1,2-b]furan-2-one
2-(ethylimino)-5-(1h-indol-3-ylmethylidene)-1,3-dimethylimidazolidin-4-one
(1r,6r)-8,9-dihydroxy-9-(hydroxymethyl)-2,2,6-trimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodec-3-en-5-one
methyl (4r)-4-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate
(1's,3r,3's,4r,5s,5's,6's,7's,8's)-4,5-dihydroxy-5',6',7',8'-tetramethyl-2'-oxaspiro[oxolane-3,4'-tricyclo[4.2.1.0³,⁷]nonan]-2-one
methyl 4-(2,5-dihydroxy-6-methylhept-6-en-2-yl)cyclohex-1-ene-1-carboxylate
7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.0⁴,⁹.0⁴,¹³]pentadec-7-ene-1,12,15-triol
(1r,2s,6r,8s,9r,11r,13s,14s)-8,13-dimethyl-3-methylidene-5,12-dioxatetracyclo[7.5.0.0²,⁶.0¹¹,¹³]tetradecane-2,6,14-triol
3,11-dihydroxy-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-en-7-one
3-isopropyl-5,5-dimethyl-7,8-dihydro-6h-anthracene-1,2-dione
10-hydroperoxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carbaldehyde
(1s,2r,4s,5r,8s,9r,12s,13r)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.0⁴,¹³.0⁸,¹³]pentadecan-10-one
2-(8-formyl-8,8a-dihydroxy-4a-methyl-hexahydro-1h-naphthalen-2-yl)prop-2-enoic acid
(1s,2s,5r,7r,8s,9s,12s)-8-hydroxy-5-(hydroxymethyl)-12-[(2r)-1-hydroxypropan-2-yl]-10-oxatetracyclo[7.2.1.0²,⁷.0⁵,⁷]dodecan-11-one
(1r,3s,5r,6s,8r,10r,12s,15s)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadecan-14-one
(3r,3as,7r,9s,11as)-7-hydroperoxy-9-hydroxy-3,10-dimethyl-6-methylidene-3h,3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
(4as,5s,7as,8s,9as)-5,8,9a-trihydroxy-3,5,8-trimethyl-4h,4ah,6h,7h,7ah,9h-azuleno[6,5-b]furan-2-one
(5r,8r,8as)-5-hydroperoxy-8-[(2s)-1-hydroxypropan-2-yl]-5-methyl-6,7,8,8a-tetrahydro-3h-naphthalene-2-carboxylic acid
(1r,4ar,5r,8s,8ar)-8-hydroxy-5-(2-hydroxyethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
6-[2-(2,6-dimethyl-1,2-dihydronaphthalen-1-yl)ethyl]-5,6-dihydropyran-2-one
1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propane-1,2-diol
(6r)-6-hydroxy-3,5-dimethoxy-2,6-dimethyl-4-[(2r)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
(3ar,4s,5r,8s,8br)-5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol
4-(3-methylbut-2-en-1-yl)-5-(2-phenylethyl)benzene-1,3-diol
7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodec-8(12)-ene-3,11-diol
4,8-dihydroxy-6-(hydroxymethyl)-6,8-dimethyl-3h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-1-one
(1s,4s,5s,8s,9s,11r)-5,8-dihydroxy-4,8,12,12-tetramethyl-2,10-dioxatetracyclo[7.4.0.0¹,⁵.0⁹,¹¹]tridecan-3-one
(1'r,3'r,4'r,6's)-1',3',4',6'-tetrahydroxy-2',2',4',6'-tetramethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one
[(1r,2r,4s,4ar,8ar)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
(3e,12bs)-3-ethylidene-9-methoxy-1h,2h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
6-(2-hydroxy-4-methylcyclohex-3-en-1-yl)-2,2-dimethyloxan-3-yl acetate
2-(methoxymethyl)-5,5,8a-trimethyl-3-oxo-hexahydro-1h-naphthalene-1-carboxylic acid
(7z,9s,12r)-9,12-dihydroxyhexadec-7-en-10-ynoic acid
(1s,3s,5r,6s,8s,9e,11s,14s)-6,8-dihydroxy-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-9-en-13-one
1-[(1s,2s,4as,6s,8r,8ar)-2,8-dihydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
(1r,3r,5r,6s,8r,10r,12s,15s)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadecan-14-one
1-[(1r,2r,4ar,6s,8as)-2,6-dihydroxy-1,2,6-trimethyl-5,7,8,8a-tetrahydro-4ah-naphthalen-1-yl]-3-hydroxypropan-1-one
1,9-dihydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
methyl 4-(3-hydroxy-6-methyl-4-oxoheptan-2-yl)cyclohex-1-ene-1-carboxylate
(1s,3s,9r,10r)-8-(hydroxymethyl)-10-methoxy-2,5,5-trimethyl-11-oxatricyclo[7.2.1.0²,⁷]dodec-7-en-3-ol
(1r,4r,6r,11r)-11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodecan-3-one
(3ar,6s,7r,7as)-6,7-dihydroxy-6-methyl-2-(3-methylbutanoyl)-4,5,7,7a-tetrahydro-3ah-1-benzofuran-3-carbaldehyde
1α,2β,4β-trihydroxypseudoguaian-6β,12-olide
{"Ingredient_id": "HBIN002275","Ingredient_name": "1\u03b1,2\u03b2,4\u03b2-trihydroxypseudoguaian-6\u03b2,12-olide","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C3(C1(C(CC3O)O)O)C)OC(=O)C2=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s*,6r*)-4,7-epoxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN009682","Ingredient_name": "(3s*,6r*)-4,7-epoxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CC(C23C14CC(=O)OCC2(C(C(C4)(O3)O)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7067","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-prenyldihgdropinosylvin
{"Ingredient_id": "HBIN010827","Ingredient_name": "4-prenyldihgdropinosylvin","Alias": "NA","Ingredient_formula": "C19H22O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17817","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-hydroxy-4-epi-ilicicacid methyl ester
{"Ingredient_id": "HBIN011423","Ingredient_name": "5\u03b1-hydroxy-4-epi-ilicicacid methyl ester","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC12CCCC(C1(CC(CC2)C(=C)C(=O)OC)O)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10071","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7α-hydroxypinguisenol-12-methyl ester
{"Ingredient_id": "HBIN013043","Ingredient_name": "7\u03b1-hydroxypinguisenol-12-methyl ester","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10649","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7β-hydroxypinguisenol-12-methyl ester
{"Ingredient_id": "HBIN013114","Ingredient_name": "7\u03b2-hydroxypinguisenol-12-methyl ester","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC1CC2C=CC(C(C2C(C1)O)(C)C(=O)CCO)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10650","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpinolide peroxide
{"Ingredient_id": "HBIN015755","Ingredient_name": "alpinolide peroxide","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "87.66777816","CAS_id": "103425-26-9","SymMap_id": "SMIT02886","TCMID_id": "NA","TCMSP_id": "MOL000243","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arteannuin g
{"Ingredient_id": "HBIN016935","Ingredient_name": "arteannuin g","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C(=O)OC(C23C1CCO3)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
artemisinin g
{"Ingredient_id": "HBIN016962","Ingredient_name": "artemisinin g","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C(=O)OC(C23C1CCO3)OC(=O)C)C","Ingredient_weight": "282.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT02238","TCMID_id": "24677","TCMSP_id": "NA","TCM_ID_id": "6608","PubChem_id": "641668","DrugBank_id": "NA"}
bisaborosaol b1
{"Ingredient_id": "HBIN018585","Ingredient_name": "bisaborosaol b1","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14479","TCMID_id": "2418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol b2
{"Ingredient_id": "HBIN018586","Ingredient_name": "bisaborosaol b2","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14480","TCMID_id": "2419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol f
{"Ingredient_id": "HBIN018590","Ingredient_name": "bisaborosaol f","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC(C)C1=NC2=C(CC3=C(CC2)C=CC(=C3)NC(=O)NN4CCN(CC4)C)C(=C1C=CC(CC(CC(=O)O)O)O)C5=CC=C(C=C5)F","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14484","TCMID_id": "2423","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}