Exact Mass: 348.129685
Exact Mass Matches: 348.129685
Found 500 metabolites which its exact mass value is equals to given mass value 348.129685,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chelerythrine
Chelerythrine is a benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor, an antibacterial agent and an antineoplastic agent. It is a benzophenanthridine alkaloid and an organic cation. A benzophenanthridine alkaloid evaluated as a kinase-inhibitor. Chelerythrine is a natural product found in Zanthoxylum fagara, Zanthoxylum mayu, and other organisms with data available. Chelerythrine is a benzophenanthridine alkaloid extracted from the plant Greater celandine (Chelidonium majus). It is a potent, selective, and cell-permeable protein kinase C inhibitor. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
Torasemide
C16H20N4O3S (348.12560500000006)
Torasemide (rINN) or torsemide (USAN) is a pyridine-sulfonylurea type loop diuretic mainly used in the management of edema associated with congestive heart failure. It is also used at low doses for the management of hypertension. It is marketed under the brand name Demadex. [Wikipedia] D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is found in pomes. N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is a constituent of the shoots of apple and pear trees. Constituent of the shoots of apple and pear trees. N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is found in pomes.
Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
Ajugol
Clofop-isobutyl
C19H21ClO4 (348.11282960000005)
Dansylproline
C17H20N2O4S (348.11437200000006)
PI-103
C19H16N4O3 (348.12223459999996)
PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4]. PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4].
Porfiromycin
Ajugol
Ajugol is a natural product found in Verbascum lychnitis, Stachys balansae, and other organisms with data available. Ajugol is an iridoid glycoside that can be isolated from Leonurus artemisia. Ajugol has anti-protozoal activity againt Trypanosoma b. rhodesiense with an IC50 of 31.8 μg/mL[1]. Ajugol is an iridoid glycoside that can be isolated from Leonurus artemisia. Ajugol has anti-protozoal activity againt Trypanosoma b. rhodesiense with an IC50 of 31.8 μg/mL[1].
Dehydrocavidine
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl- is a natural product found in Fumaria capreolata, Fumaria indica, and other organisms with data available.
2,7-Dihydroxy-3-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
1-(4-Hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
5,8-Dimethoxy-3-(3-methyl-2,3-dihydroxybutyl)-psoralen
Erybraedin E
Porfiromycin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins
3,5-dihydroxybiphenyl-4-C-beta-glucopyranoside|calophymembranside A
4-[alpha-(Hydroxymethyl)-4,beta-dihydroxy-3-methoxyphenethyloxy]-3-methoxybenzaldehyde
3-hydroxy-4-(3-methyl-2-butenyl)-furo[2,3:8,9] [6aR,11aR]pterocarpan|morisianine
(12bS)-2,3-dihydro-8,11-dimethoxy-12b-methyl-1H-benzo<6,7>phenanthro<10,1-bc>furan-6(12bH)-one|xestoquinol dimethyl ether
(4R)-7c,8c-Diaethyl-9t-hydroxy-4-methyl-cycloonna-1,5-dien-1,2,4r,5-tetracarbonsaeure-1,2;4,5-dianhydrid|(4R)-7c,8c-diethyl-9t-hydroxy-4-methyl-cyclonona-1,5-diene-1,2,4r,5-tetracarboxylic acid-1,2;4,5-dianhydride|Glauconic acid|Glauconsaeure
(E)-2,3-dihydroxy-2-(4-hydroxybenzyl)-5-methoxystilbene
(5S*,6R*,7S*)-5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
erylysin B|furano[5,4:3,4]-9-hydroxy-10-prenylpterocarpan
3-Methyl 2-butenoic acid 2-(6-acetyl-5-hydroxybenzofuran-2-yl)-2,3-dihydroxypropyl ester
Isobyak-angelicolsaeuremethylester|Isobyakangelicolsaeuremethylester
2-(4-hydroxy-3-methoxy-phenyl)-5,7-dimethoxy-chroman-3,4-diol
15-O-desmethyl-(5Z)-7-oxo-zeaenol|15-O-desmethyl-5Z-7-oxozeaenol
2,3,5,6-tetrahydrojacaranone-4-O-beta-D-glucopyranoside
(2S,3R,7R)-4-hydroxy-2-[(1E)-3-methylbut-1,3-dienyl]-3,7-[2-methylprop-2-enyl]-2,3-dihydroxanthene-1,4-dione|ehretiquinone
2-C-beta-D-glucopyranosyl-1-methoxyindole-3-acetonitrile
(3R)-7,1?4-trihydroxy-6,2?3-trimethoxyisoflavan|abruquinone L
4-Methoxyagarotetrol
(4RS,9bSR)-2,4,5,9b-tetrahydro-7,9,9b-trimethoxy-3-methyl-5-oxonaphtho[1,2-b]furan-4-yl acetate|colelomycerone B
6,7-Dimethoxy-8-(1-acetoxy-3-methyl-2-oxobutyl)-2H-1-benzopyran-2-one
(E)-2,5-dihydroxy-2-(4-hydroxybenzyl)-3-methoxystilbene
9alpha-hydroxy-8beta-methacryloyloxy-14-oxo-acanthospermolide-4alpha,5beta-epoxide
Nalpha-(2-carboxymethyl-2-hydroxysuccinyl)arginine|Nalpha-(2-hydroxy-2carbonylsuccinyl)-L-arginine
4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
Torsemide
C16H20N4O3S (348.12560500000006)
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2365 CONFIDENCE standard compound; INTERNAL_ID 8192 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3145
Ala Ala Gly Met
Ala Ala Met Gly
Ala Cys Gly Val
Ala Cys Val Gly
Ala Asp Gly Ser
Ala Asp Ser Gly
Ala Gly Ala Met
Ala Gly Cys Val
Ala Gly Asp Ser
Ala Gly Met Ala
Ala Gly Ser Asp
Ala Gly Val Cys
Ala Met Ala Gly
Ala Met Gly Ala
Ala Ser Asp Gly
Ala Ser Gly Asp
Ala Val Cys Gly
Ala Val Gly Cys
Cys Ala Gly Val
Cys Ala Val Gly
Cys Gly Ala Val
Cys Gly Gly Ile
Cys Gly Gly Leu
Cys Gly Ile Gly
Cys Gly Leu Gly
Cys Gly Val Ala
Cys Ile Gly Gly
Cys Leu Gly Gly
Cys Val Ala Gly
Cys Val Gly Ala
Asp Ala Gly Ser
Asp Ala Ser Gly
Asp Gly Ala Ser
Asp Gly Gly Thr
Asp Gly Ser Ala
Asp Gly Thr Gly
Asp Ser Ala Gly
Asp Ser Gly Ala
Asp Thr Gly Gly
Glu Gly Gly Ser
Glu Gly Ser Gly
Glu Ser Gly Gly
Gly Ala Ala Met
Gly Ala Cys Val
Gly Ala Asp Ser
Gly Ala Met Ala
Gly Ala Ser Asp
Gly Ala Val Cys
Gly Cys Ala Val
Gly Cys Gly Ile
Gly Cys Gly Leu
Gly Cys Ile Gly
Gly Cys Leu Gly
Gly Cys Val Ala
Gly Asp Ala Ser
Gly Asp Gly Thr
Gly Asp Ser Ala
Gly Asp Thr Gly
Gly Glu Gly Ser
Gly Glu Ser Gly
Gly Gly Cys Ile
Gly Gly Cys Leu
Gly Gly Asp Thr
Gly Gly Glu Ser
Gly Gly Ile Cys
Gly Gly Leu Cys
Gly Gly Ser Glu
Gly Gly Thr Asp
Gly Ile Cys Gly
Gly Ile Gly Cys
Gly Leu Cys Gly
Gly Leu Gly Cys
Gly Met Ala Ala
Gly Ser Ala Asp
Gly Ser Asp Ala
Gly Ser Glu Gly
Gly Ser Gly Glu
Gly Thr Asp Gly
Gly Thr Gly Asp
Gly Val Ala Cys
Gly Val Cys Ala
Ile Cys Gly Gly
Ile Gly Cys Gly
Ile Gly Gly Cys
Leu Cys Gly Gly
Leu Gly Cys Gly
Leu Gly Gly Cys
Met Ala Ala Gly
Met Ala Gly Ala
Met Gly Ala Ala
Ser Ala Asp Gly
Ser Ala Gly Asp
Ser Asp Ala Gly
Ser Asp Gly Ala
Ser Glu Gly Gly
Ser Gly Ala Asp
Ser Gly Asp Ala
Ser Gly Glu Gly
Ser Gly Gly Glu
Thr Asp Gly Gly
Thr Gly Asp Gly
Thr Gly Gly Asp
Val Ala Cys Gly
PI-103
C19H16N4O3 (348.12223459999996)
PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4]. PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4].
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine
1H-Indole,1-(phenylmethyl)-3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1)
(2,6-dimethyl-4-(3-(Methylsulfonyl)propoxy)biphenyl-3-yl)Methanol
C19H24O4S (348.13952240000003)
Ethopropazine hydrochloride
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2-NAPHTHALEN-2-YLMETHYL-SUCCINICACID1-BENZYL ESTER
2-PHENYL-2-(2-PHENYL-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
butyl prop-2-enoate,chloroethene,ethenyl acetate,prop-2-enoic acid
Ethyl 2-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-1,3 -thiazole-4-carboxylate
C17H20N2O4S (348.11437200000006)
2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium,chloride
10-(2-Naphthyl)anthracene-9-boronic acid
C24H17BO2 (348.13215319999995)
9-(1-Naphthyl)anthracene-10-boronic acid
C24H17BO2 (348.13215319999995)
ETHYL 2-((2-AMINOETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-METHYLNICOTINATE
2-(3-methylphenyl)-3,5-diphenyltetrazol-3-ium,chloride
1-broMo-4-[(trans,trans)-4-ethyl[1,1-bicyclohexyl]-4-yl]-Benzene
[trans(trans)]-4-(Iodomethyl)-4-propyl-1,1-bicyclohexyl
OC000459
C21H17FN2O2 (348.12739939999994)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C177182 - Prostaglandin Receptor Antagonist
Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester
DI-O-TOLYLPHOSPHONOACETIC ACID ETHYL ESTER
C18H21O5P (348.11265460000004)
(4,5-Dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)(4-nitrophenyl)methanone
C19H16N4O3 (348.12223459999996)
2H-1-Benzopyran-7-ol, 3,4-dihydro-3,4-bis(4-hydroxyphenyl)-8-methyl-, (3R,4S)-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
1-(8-Quinolinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester
C17H20N2O4S (348.11437200000006)
N,N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
C18H16N6O2 (348.13346759999996)
Bis(5-amidino-2-benzimidazolyl)methane ketone
C17H16N8O+2 (348.14470059999996)
toddaline
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
coelimycin P1
C17H20N2O4S (348.11437200000006)
An organosulfur heterocyclic compound that is 1,5-oxathiocane which has been substituted at the 2-pro-R, 3, 6, and 8 positions by oxo, acetamido, 5,6-dihydropyridin-2(1H)-ylidene, and (2E)-but-2-enoyl groups, respectively, and which has been dehydrogenated to introduce a double bond at the 7-8 position. It was isolated from Streptomyces coelicolor M145 after genetically engineered increase of the metabolic flux and is the product of a polyketide biosynthetic gene cluster.
N-[(3R)-8-[(2E)-but-2-enoyl]-6-(5,6-dihydropyridin-2-yl)-2-oxo-4,8-dihydro-3H-1,5-oxathiocin-3-yl]acetamide
C17H20N2O4S (348.11437200000006)
15-O-desmethyl-(5Z)-7-oxozeaenol
A macrolide that is a 14-memebered macrocycle fused to a 1,3-dihydroxybenzene. Isolated from Fungi, it exhibits inhibitory activity against NF-kappaB.
(5Z)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
C17H20N2O4S (348.11437200000006)
2-[4-(4-Butyl-phenyl)-thiazol-2-yl]-3-(5-methyl-furan-2-yl)-acrylonitrile
mitomycin B(1-)
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
mitomycin A(1-)
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxoquinoline-3-carboxamide
C19H16N4O3 (348.12223459999996)
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide
C19H16N4O3 (348.12223459999996)
2-[[(2,3-Dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide
C17H20N2O4S (348.11437200000006)
5-chloro-N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-2-methoxybenzamide
2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
C17H20N2O4S (348.11437200000006)
N-cycloheptyl-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide
C16H20N4O3S (348.12560500000006)
3,4-Diethoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
(4-Chloro-2-methyl-3-pyrazolyl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
C19H16N4O3 (348.12223459999996)
2-[5-amino-1-(2-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
C19H16N4O3 (348.12223459999996)
3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide
C17H20N2O4S (348.11437200000006)
1-Tert-butyl-5-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C17H18ClFN4O (348.11530999999997)
1-Tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C17H18ClFN4O (348.11530999999997)
Asp-Gln-Ser
A tripeptide composed of L-aspartic acid, L-glutamine and L-serine joined in sequence by peptide linkages.
2-[[(1S,5R)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]thiazole
C20H20N4S (348.14086000000003)
(1S,2S,4aR,4bR,7S,9aR,10S,10aR)-2,7-dihydroxy-1-methyl-8,13-dioxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
[(1r,3s,4as,10as)-9,10a-dihydroxy-5,10-dioxo-1-propyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-3-yl]acetic acid
(2s,3r,4s,5s,6r)-2-{[(1s,4as,5r,7s,7ar)-4a,5-dihydroxy-7-methyl-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2r,4s,5r,10s,12s,14r,15r,18r)-5-[(1r)-1-hydroxyethyl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
4-[(2s,3s,4r)-4-[(s)-(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
2-(6-acetyl-5-hydroxy-1-benzofuran-2-yl)-2,3-dihydroxypropyl 3-methylbut-2-enoate
(3s,4s,5s)-5,14-dihydroxy-4-methoxy-4,7,12,15-tetramethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),7,11,13-tetraene-6,10-dione
3,6-dihydroxy-15-methyl-9-(3-methylbuta-1,3-dien-1-yl)tetracyclo[6.5.3.0¹,⁹.0²,⁷]hexadeca-2,4,6,11,15-pentaene-10,13-dione
(1s,6r,9r,17r)-5-hydroxy-12-(1-hydroxyethyl)-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione
9-[(2s)-2-hydroxy-3-methoxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
2-(3-butoxy-3-oxopropyl)-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylic acid
2-{[6-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(1e)-2-(2-hydroxyphenyl)ethenyl]-4-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7s,7as)-5,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-4-(4-hydroxyphenyl)furan-2-one
(10r)-10-(dimethoxymethyl)-8-oxatricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaene-5,10,14,15-tetrol
4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzaldehyde
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,6r,7s,7ar)-5,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-4-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}-3-hydroxy-3-methylbutanoic acid
4-{4-[(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl}benzene-1,2-diol
[5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)-1,4-dioxo-3h-naphthalen-2-yl]acetic acid
(2r,7s)-12-acetyl-11,13-dihydroxy-5,7-dimethoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),4,9,11-tetraen-3-one
(2r,7s)-10-acetyl-11,13-dihydroxy-5,7-dimethoxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),4,9,11-tetraen-3-one
9-(2-hydroxy-3-methoxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
1-(4-hydroxybenzyl)-2,4,7-phenanthrenetriol
{"Ingredient_id": "HBIN001491","Ingredient_name": "1-(4-hydroxybenzyl)-2,4,7-phenanthrenetriol","Alias": "NA","Ingredient_formula": "C22H20O4","Ingredient_Smile": "NA","Ingredient_weight": "348.398","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9671","PubChem_id": "NA","DrugBank_id": "NA"}
1-(p-hydroxybenzyl)-4-methoxy-9,10-dihydro-phenanthrene-2,7-diol
{"Ingredient_id": "HBIN002989","Ingredient_name": "1-(p-hydroxybenzyl)-4-methoxy-9,10-dihydro-phenanthrene-2,7-diol","Alias": "NA","Ingredient_formula": "C22H20O4","Ingredient_Smile": "COC1=CC(=C(C2=C1C3=C(CC2)C=C(C=C3)O)CC4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9845","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroaucubin
{"Ingredient_id": "HBIN007365","Ingredient_name": "3,4-dihydroaucubin","Alias": "NA","Ingredient_formula": "C15H24O9","Ingredient_Smile": "C1COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "348.34 g/mol","OB_score": "8.40800575","CAS_id": "NA","SymMap_id": "SMIT09190","TCMID_id": "NA","TCMSP_id": "MOL007828","TCM_ID_id": "NA","PubChem_id": "101085815","DrugBank_id": "NA"}
3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydro-phenanthrene-2,7-diol
{"Ingredient_id": "HBIN009476","Ingredient_name": "3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydro-phenanthrene-2,7-diol","Alias": "NA","Ingredient_formula": "C22H20O4","Ingredient_Smile": "COC1=C2C(=CC(=C1CC3=CC=C(C=C3)O)O)CCC4=C2C=CC(=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9846","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah2a)
{"Ingredient_id": "HBIN011384","Ingredient_name": "5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah2a)","Alias": "NA","Ingredient_formula": "C18H20O7","Ingredient_Smile": "COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32039","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
achillamide
{"Ingredient_id": "HBIN014506","Ingredient_name": "achillamide","Alias": "NA","Ingredient_formula": "C17H20N2O6","Ingredient_Smile": "NA","Ingredient_weight": "348.355","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7206","PubChem_id": "NA","DrugBank_id": "NA"}
[(4s,6s,7r,8s)-11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0²,⁷.0⁴,⁶]trideca-1(9),11-dien-8-yl]methoxycarboximidic acid
(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methylisochromene-6,8-dione
C19H21ClO4 (348.11282960000005)
5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dioxo-3h-naphthalen-2-yl acetate
1-[(4-hydroxyphenyl)methyl]-2-methoxy-9,10-dihydrophenanthrene-4,5-diol
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,7s,7as)-5,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,6r,9s,17r)-12-ethyl-5,10-dihydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione
6,8-dihydroxy-3-[(1e,3s)-3-hydroxy-4-[(2r,3r)-3-[(2r)-2-hydroxypropyl]oxiran-2-yl]but-1-en-1-yl]isochromen-1-one
(4s,5s)-4-hydroxy-5-methoxy-4-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-one
(4s,11r,14s,15s)-2-[(2s)-butan-2-yl]-14,15-dihydroxy-6,11-dimethyl-3,5,12-trioxatetracyclo[6.5.2.0⁴,¹⁵.0¹¹,¹⁴]pentadeca-1,6,8-triene-10,13-dione
(2s,3r,3as,4r,4's,5'r,6s,7ar)-3,4,4'-trihydroxy-3,5'-bis(hydroxymethyl)-hexahydrospiro[1-benzofuran-2,2'-oxane]-6-carboxylic acid
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,6s,7r,7as)-6,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,8r,9s)-3,6-dihydroxy-15-methyl-9-[(1e)-3-methylbuta-1,3-dien-1-yl]tetracyclo[6.5.3.0¹,⁹.0²,⁷]hexadeca-2,4,6,11,15-pentaene-10,13-dione
6-[(2r)-2,3-dihydroxy-3-methylbutyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
5,7-dimethoxy-8-(3-methylbuta-1,3-dien-1-yl)-2-phenylchromen-4-one
1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl acetate
4-{[1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}-3-hydroxy-3-methylbutanoic acid
[(1r,2s,10r,11r,13s)-2,7-dihydroxy-9-oxo-11-propyl-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl]acetic acid
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5r,7s,7as)-5,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6r)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one
2-(chloromethyl)-2-hydroxy-6-[2-(hydroxymethyl)-3-methoxy-3-oxoprop-1-en-1-yl]-5-isopropylcyclohexane-1-carboxylic acid
4-hydroxy-5-methoxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-one
4,5-dihydroxy-6,7-dimethoxy-3-(3-oxohexyl)naphthalene-1,2-dione
3-[(1e)-2-(2-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
(1r,13r)-18-(3-methylbut-2-en-1-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol
3-[2-(2-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
(2s,3s,4r,5r,6s)-6-{[(4as,7s,7ar)-7-hydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
2-({5,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(4r,6r,8r,10s,11e)-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
(1s,2r,4r,7e,9s,10s,11r)-8-formyl-9-hydroxy-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl 2-methylprop-2-enoate
[(1r,3s)-9,10a-dihydroxy-5,10-dioxo-1-propyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-3-yl]acetic acid
{11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0²,⁷.0⁴,⁶]trideca-1(9),11-dien-8-yl}methoxycarboximidic acid
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,6s,7s,7ar)-6-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzaldehyde
methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoate
(2r,10r)-5-(3-methylbut-2-en-1-yl)-3,12,17-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁸]icosa-1(20),4(9),5,7,13,15,18-heptaen-6-ol
(4r,6r,10s,11z)-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
3-[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
8-formyl-9-hydroxy-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl 2-methylprop-2-enoate
6-[({4a,7-dihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)methyl]oxane-2,3,4,5-tetrol
10-(dimethoxymethyl)-8-oxatricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaene-5,10,14,15-tetrol
9,10-diethyl-11-hydroxy-3-methyl-5,14-dioxatricyclo[10.3.0.0³,⁷]pentadeca-1(12),7-diene-4,6,13,15-tetrone
4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzaldehyde
17-(3-methylbut-2-en-1-yl)-7,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,5,8,13(18),14,16-heptaen-16-ol
(1r)-1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl acetate
2,5-dihydroxy-6,7-dimethoxy-3-(3-oxohexyl)naphthalene-1,4-dione
{2,7-dihydroxy-9-oxo-11-propyl-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl}acetic acid
(3s,4s)-4-methyl-1-oxo-3-[(1e,3e)-penta-1,3-dien-1-yl]-5-phenyl-3,4-dihydro-2-benzopyran-7-carboxylic acid
5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
4-[(2s,3r,4r)-4-[(s)-(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5r,7s,7ar)-5,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
16,17-dimethoxy-12-methyl-5,7-dioxa-1λ⁵-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17,20-nonaen-1-ylium
(4s,10r)-4-(acetyloxy)-10-hydroxy-6,10-dimethyl-2-oxo-4h,5h,9h-cyclodeca[b]furan-3-yl acetate
6-[(2s)-2,3-dihydroxy-3-methylbutyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
5-(3-methylbut-2-en-1-yl)-3,12,17-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁸]icosa-1(20),4(9),5,7,13,15,18-heptaen-6-ol
(2r,3r,4s,5s,6r)-2-{[(1s,4ar,5s,7s,7as)-5,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,6s,7s,7as)-6-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(4e)-5-(4-hydroxyphenyl)-1-[(2s)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]pent-4-ene-1,3-dione
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2s,4s,6s,10s)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-10-yl]oxy}oxane-3,4,5-triol
6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one
n-[8-(but-2-enoyl)-6-(5,6-dihydro-1h-pyridin-2-ylidene)-2-oxo-3,4-dihydro-1,5-oxathiocin-3-yl]ethanimidic acid
C17H20N2O4S (348.11437200000006)
6,8-dihydroxy-3-{3-hydroxy-4-[3-(2-hydroxypropyl)oxiran-2-yl]but-1-en-1-yl}isochromen-1-one
(3r,7e,9r,10r,11s)-9,10-diethyl-11-hydroxy-3-methyl-5,14-dioxatricyclo[10.3.0.0³,⁷]pentadeca-1(12),7-diene-4,6,13,15-tetrone
(3s)-4-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}-3-hydroxy-3-methylbutanoic acid
(2s,3r,4s,5s,6r)-2-{[(4ar,5s,7r,7ar)-4a,5-dihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-[(7z)-8-[(2e)-but-2-enoyl]-6-[(2e)-5,6-dihydro-1h-pyridin-2-ylidene]-2-oxo-3,4-dihydro-1,5-oxathiocin-3-yl]ethanimidic acid
C17H20N2O4S (348.11437200000006)
3-[2-(2-hydroxyphenyl)ethenyl]-4-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzaldehyde
(2s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
5-(4-hydroxyphenyl)-1-[2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]pent-4-ene-1,3-dione
1-[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
(2r,3s,4s,5s,6r)-2-{[(1s,4as,5r,7s,7as)-5,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-(acetyloxy)-10-hydroxy-6,10-dimethyl-2-oxo-4h,5h,9h-cyclodeca[b]furan-3-yl acetate
(1s)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl acetate
2-({6,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(5z)-5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-4-(4-hydroxyphenyl)furan-2-one
(2r)-2-(6-acetyl-5-hydroxy-1-benzofuran-2-yl)-2,3-dihydroxypropyl 3-methylbut-2-enoate
5-(1-hydroxyethyl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
14,15-dihydroxy-6,11-dimethyl-2-(sec-butyl)-3,5,12-trioxatetracyclo[6.5.2.0⁴,¹⁵.0¹¹,¹⁴]pentadeca-1,6,8-triene-10,13-dione
(3s,5z,8s,9s,11e)-8,9,14,16-tetrahydroxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione
(1s,2s,5r,6s)-2-(chloromethyl)-2-hydroxy-6-[(1e)-2-(hydroxymethyl)-3-methoxy-3-oxoprop-1-en-1-yl]-5-isopropylcyclohexane-1-carboxylic acid
2-(3,4-dihydroxyphenyl)ethyl 1-hydroxy-7-methyl-6-oxo-1h,4ah,5h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(5z)-5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
2-({4a,5-dihydroxy-7-methyl-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
8-[(4-hydroxyphenyl)methyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
(3r)-5,7-dihydroxy-3-(3,4,6-trimethoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2r,3s,5s)-2-{[(1s,6s,7s)-6-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-[(3r)-8-[(2e)-but-2-enoyl]-6-[(2e)-5,6-dihydro-1h-pyridin-2-ylidene]-2-oxo-3,4-dihydro-1,5-oxathiocin-3-yl]ethanimidic acid
C17H20N2O4S (348.11437200000006)
(2r,3r,4s,5s,6r)-6-({[(1r,4as,7s,7ar)-4a,7-dihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}methyl)oxane-2,3,4,5-tetrol
(3s,4s,5r)-5,14-dihydroxy-4-methoxy-4,7,12,15-tetramethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),7,11,13-tetraene-6,10-dione
n-[(3r,7z)-8-[(2e)-but-2-enoyl]-6-[(2e)-5,6-dihydro-1h-pyridin-2-ylidene]-2-oxo-3,4-dihydro-1,5-oxathiocin-3-yl]ethanimidic acid
C17H20N2O4S (348.11437200000006)