Exact Mass: 406.0445814

Exact Mass Matches: 406.0445814

Found 151 metabolites which its exact mass value is equals to given mass value 406.0445814, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Lancerin

1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one

C19H18O10 (406.0899928)


Lancerin is a C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. It has a role as a plant metabolite. It is a member of xanthones, a C-glycosyl compound and a polyphenol. Lancerin is a natural product found in Maclura cochinchinensis, Polygala tenuifolia, and other organisms with data available. A C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. Lancerin, isolated from the root bark of Cudraniu cochinchinensis, possesses anti-lipid peroxidation[1]. Lancerin, isolated from the root bark of Cudraniu cochinchinensis, possesses anti-lipid peroxidation[1].

   

4,4,6,6-Tetranitro-2,2-azoxytoluene

4,4,6,6-Tetranitro-2,2-azoxytoluene

C14H10N6O9 (406.050925)


   

2,4,6,6-Tetranitro-2,4-azoxytoluene

2,4,6,6-Tetranitro-2,4-azoxytoluene

C14H10N6O9 (406.050925)


   

2,2,6,6-Tetranitro-4,4-azoxytoluene

2,2,6,6-Tetranitro-4,4-azoxytoluene

C14H10N6O9 (406.050925)


   

5-Fluorodeoxyuridine diphosphate

5-Fluorodeoxyuridine diphosphate

C9H13FN2O11P2 (405.997862)


   

7-Chloro-3,4',5,6,8-pentamethoxyflavone

7-chloro-3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

C20H19ClO7 (406.08192540000005)


7-Chloro-3,4,5,6,8-pentamethoxyflavone is found in citrus. 7-Chloro-3,4,5,6,8-pentamethoxyflavone is a constituent of a Citrus sp. (Dancy tangerine). Constituent of a Citrus species (Dancy tangerine). 7-Chloro-3,4,5,6,8-pentamethoxyflavone is found in citrus.

   

1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)

[(3,4,5-Trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]sulphonic acid

C15H18O11S (406.0569798)


1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate) is found in green vegetables. 1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate) is isolated from Pteridium aquilinum (bracken fern).

   

Carbonyloxycamptothecin

3-ethyl-3,6,6-trihydroxy-5-oxa-9,19-diazahexacyclo[15.4.1.0^{2,7}.0^{9,21}.0^{11,20}.0^{13,18}]docosa-1(21),2(7),11(20),12,14,16,18-heptaene-4,8,22-trione

C21H14N2O7 (406.0800974)


   

Glucoiberverin

(E)-[4-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino sulfate

C11H20NO9S3- (406.03001700000004)


   
   
   

Neolancerin

2-c-?-d-glucopyranosyl-1,3,7-trihydroxyxanthone

C19H18O10 (406.0899928)


Neolancerin is a natural product found in Hypericum sampsonii and Gentiana thunbergii with data available. Neolancerin is a natural product with weak cytotoxic activity against HL-60 cells[1].

   

spongotine A

spongotine A

C20H15BrN4O (406.042916)


A member of the class of imidazolines that is 4,5-dihydro-1H-imidazole which is substituted by a 1H-indole-3-carbonyl group at position 2 and a 6-bromo-1H-indol-3-yl group at position 4S. It is a bisindole alkaloid isolated from the marine sponge, Spongosorites sp.

   

5,7,4,5-Tetrahydroxy-3,6,8,2-tetramethoxyflavone

5,7,4,5-Tetrahydroxy-3,6,8,2-tetramethoxyflavone

C19H18O10 (406.0899928)


   

5,7,2,5-Tetrahydroxy-3,6,8,4-tetramethoxyflavone

5,7,2,5-Tetrahydroxy-3,6,8,4-tetramethoxyflavone

C19H18O10 (406.0899928)


   

5,7,2,4-Tetrahydroxy-3,6,8,5-tetramethoxyflavone

5,7,2,4-Tetrahydroxy-3,6,8,5-tetramethoxyflavone

C19H18O10 (406.0899928)


   

5,7,3,5-Tetrahydroxy-3,6,8,4-tetramethoxyflavone

5,7,3,5-Tetrahydroxy-3,6,8,4-tetramethoxyflavone

C19H18O10 (406.0899928)


   

5,7,3,4-Tetrahydroxy-3,6,8,5-tetramethoxyflavone

5,7,3,4-Tetrahydroxy-3,6,8,5-tetramethoxyflavone

C19H18O10 (406.0899928)


   

5,6,3,5-Tetrahydroxy-3,7,8,4-tetramethoxyflavone

5,6,3,5-Tetrahydroxy-3,7,8,4-tetramethoxyflavone

C19H18O10 (406.0899928)


   

2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone

2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone

C21H14N2OS3 (406.0268234)


   

O1-[3-(Trifluoromethyl)benzoyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanehydroximamide

O1-[3-(Trifluoromethyl)benzoyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanehydroximamide

C18H13F3N4O4 (406.08888540000004)


   

1-[3-(4-Chlorophenylaminocarbonyl)benzyl]-5-(trifluoromethyl)-2-pyridone

1-[3-(4-Chlorophenylaminocarbonyl)benzyl]-5-(trifluoromethyl)-2-pyridone

C20H14ClF3N2O2 (406.069585)


   

6-Debromohamacanthin B

6-Debromohamacanthin B

C20H15BrN4O (406.042916)


   

Acetyl-2,3,4,6-tetra-O-acetyl-5-thio-d-glucopyranoside

Acetyl-2,3,4,6-tetra-O-acetyl-5-thio-d-glucopyranoside

C16H22O10S (406.0933632)


   
   

1-chloronephroarctin|4-Chloronephroarctin

1-chloronephroarctin|4-Chloronephroarctin

C20H19ClO7 (406.08192540000005)


   

2,9-Dibenzyl-1,8-dioxa-2,9-diaza-dispiro[3.2.3.2]dodeca-5,11-dien-3,10-dithion|2,9-dibenzyl-1,8-dioxa-2,9-diaza-dispiro[3.2.3.2]dodeca-5,11-diene-3,10-dithione

2,9-Dibenzyl-1,8-dioxa-2,9-diaza-dispiro[3.2.3.2]dodeca-5,11-dien-3,10-dithion|2,9-dibenzyl-1,8-dioxa-2,9-diaza-dispiro[3.2.3.2]dodeca-5,11-diene-3,10-dithione

C22H18N2O2S2 (406.08096479999995)


   

4-chloro-5-O-methyl-3,4-deoxypsorospermin-3,5-diol

4-chloro-5-O-methyl-3,4-deoxypsorospermin-3,5-diol

C20H19ClO7 (406.08192540000005)


   

1,5-dihydroxyxanthone-6-O-beta-D-glucoside|1,5-Dihydroxyxanthone-6-O-??-D-glucoside

1,5-dihydroxyxanthone-6-O-beta-D-glucoside|1,5-Dihydroxyxanthone-6-O-??-D-glucoside

C19H18O10 (406.0899928)


   

3-O-beta-D-glucopyranosyl-1,6-dihydroxyxanthone

3-O-beta-D-glucopyranosyl-1,6-dihydroxyxanthone

C19H18O10 (406.0899928)


   

epicatechin-3-malate

epicatechin-3-malate

C19H18O10 (406.0899928)


   

erigeroflavanone|methyl 2-[rel-(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-2-methoxy-4-oxo-2H-chromen-3-yl]acetate|rel-(2R,3R)-3,5,7,3,4-pentahydroxy-2-methoxy-flavanone-3-acetic acid methyl ester

erigeroflavanone|methyl 2-[rel-(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-2-methoxy-4-oxo-2H-chromen-3-yl]acetate|rel-(2R,3R)-3,5,7,3,4-pentahydroxy-2-methoxy-flavanone-3-acetic acid methyl ester

C19H18O10 (406.0899928)


   

2-(4-Hydroxyphenyl)-5,7-dihydroxy-6-[2-hydroxy-5-(hydroxycarbonyl)phenyl]-4H-1-benzopyran-4-one

2-(4-Hydroxyphenyl)-5,7-dihydroxy-6-[2-hydroxy-5-(hydroxycarbonyl)phenyl]-4H-1-benzopyran-4-one

C22H14O8 (406.0688644)


   
   

3-chloro-3,5,7,8,2-pentamethoxyflavone

3-chloro-3,5,7,8,2-pentamethoxyflavone

C20H19ClO7 (406.08192540000005)


   

16,16-dibromohexadec-15-en-5-ynoic acid

16,16-dibromohexadec-15-en-5-ynoic acid

C16H24Br2O2 (406.01429239999993)


   

4-O-beta-D-glucopyranosyl-1,7-dihydroxyxanthone|tenuiside A

4-O-beta-D-glucopyranosyl-1,7-dihydroxyxanthone|tenuiside A

C19H18O10 (406.0899928)


   
   
   
   

3-(1H-Indole-3-yl)-6-(6-bromo-1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one

3-(1H-Indole-3-yl)-6-(6-bromo-1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one

C20H15BrN4O (406.042916)


   

cyclographin|Cycographin

cyclographin|Cycographin

C19H15ClO8 (406.045542)


   
   

3-(6-Bromo-1H-indole-3-yl)-6-(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one

3-(6-Bromo-1H-indole-3-yl)-6-(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one

C20H15BrN4O (406.042916)


   

1,7-dihydroxyxanthone-3-O-beta-D-glucopyranoside|xanthohypericoside

1,7-dihydroxyxanthone-3-O-beta-D-glucopyranoside|xanthohypericoside

C19H18O10 (406.0899928)


   

Val-Phe4Cl-OH

(S)-3-(4-chlorophenyl)-2-(3-isopropoxy-4-nitrobenzamido)propanoic acid

C19H19ClN2O6 (406.0931584)


   

Phe4Cl-Val-OH

(S)-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)-4-methylpentanoic acid

C19H19ClN2O6 (406.0931584)


   

7-Chloro-3,4',5,6,8-pentamethoxyflavone

7-chloro-3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

C20H19ClO7 (406.08192540000005)


   

1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)

[(3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]sulfonic acid

C15H18O11S (406.0569798)


   

N-(5-Chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide

N-(5-Chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide

C21H15ClN4O3 (406.083263)


   

2,4,6-Triphenylpyrylium Hydrogensulfate

2,4,6-Triphenylpyrylium Hydrogensulfate

C23H18O5S (406.0874898)


   

2-(4-(8-BROMO-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE

2-(4-(8-BROMO-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE

C20H15BrN4O (406.042916)


   

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-acetylsulfanyloxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-acetylsulfanyloxan-2-yl]methyl acetate

C16H22O10S (406.0933632)


   

4-(Perfluorooctyl)-2-methyl-2-butanol

4-(Perfluorooctyl)-2-methyl-2-butanol

C11H11F13O (406.0602272)


   

Pentamethylcyclopentadienylrhenium tricarbonyl

Pentamethylcyclopentadienylrhenium tricarbonyl

C13H15O3Re (406.057879)


   

3,4-Bis(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)benzamide

3,4-Bis(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)benzamide

C20H20Cl2N2O3 (406.08509100000003)


   

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

C16H12F6N4O2 (406.08644039999996)


   

Piperazine-N,N-bis(2-hydroxypropanesulphonic acid) disodium salt

Piperazine-N,N-bis(2-hydroxypropanesulphonic acid) disodium salt

C10H20N2Na2O8S2 (406.045644)


   

((3,5-DICHLORO-4-(3-ISOPROPYL-4-METHOXYPHENOXY)PHENYL)ETHYNYL)TRIMETHYLSILANE

((3,5-DICHLORO-4-(3-ISOPROPYL-4-METHOXYPHENOXY)PHENYL)ETHYNYL)TRIMETHYLSILANE

C21H24Cl2O2Si (406.09225439999994)


   

lead(ii) acetylacetonate

lead(ii) acetylacetonate

C10H14O4Pb (406.0658454)


   

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(propoxy)octane

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(propoxy)octane

C11H11F13O (406.0602272)


   

Remoxipride hydrochloride

Remoxipride hydrochloride

C16H24BrClN2O3 (406.0658724)


(S)-Remoxipride ((-)-Remoxipride) hydrochloride is a selective dopamine D2-receptor antagonist with an IC50 value of 1.57 μM. (S)-Remoxipride hydrochloride can be used for the research of psychotic disorder[1].

   

Fosphenytoin sodium

Fosphenytoin (disodium)

C16H13N2Na2O6P (406.0306608)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D049990 - Membrane Transport Modulators

   

9H-Fluoren-9-ylmethyl pentafluorophenyl carbonate

9H-Fluoren-9-ylmethyl pentafluorophenyl carbonate

C21H11F5O3 (406.0628316)


   

9,10-Anthracenedione,1-amino-2-bromo-4-[(4-methylphenyl)amino]-

9,10-Anthracenedione,1-amino-2-bromo-4-[(4-methylphenyl)amino]-

C21H15BrN2O2 (406.031683)


   
   

Disodium 3,3-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxypropanesulphonate)

Disodium 3,3-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxypropanesulphonate)

C10H16Na2O10S2 (405.99802759999994)


   
   

CPPHA

CPPHA

C22H15ClN2O4 (406.07203000000004)


CPPHA is potent and selective positive allosteric modulator (PAM) of the mGluR5 and mGluR1 (metabotropic glutamate receptor). CPPHA can potentiate responses of mGluR5 and mGluR1 to activation of these receptors. CPPHA is developed for the research of central nervous system disorders[1][2].

   

cis-2-(2,4-dichlorophenyl)-2-(1h-imidazole-1-yl)methyl-4-(methane sulfonyloxy)methyl-1,3-dioxalane

cis-2-(2,4-dichlorophenyl)-2-(1h-imidazole-1-yl)methyl-4-(methane sulfonyloxy)methyl-1,3-dioxalane

C15H16Cl2N2O5S (406.0156946)


   

[1,1:4,1-Terphenyl]-3,3,5,5-tetracarboxylic acid

[1,1:4,1-Terphenyl]-3,3,5,5-tetracarboxylic acid

C22H14O8 (406.0688644)


   

2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide

2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide

C19H14ClF3N4O (406.080818)


   
   
   

(2E)-3-{3-[(5-Ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-YL)oxy]phenyl}acrylonitrile

(2E)-3-{3-[(5-Ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-YL)oxy]phenyl}acrylonitrile

C17H15IN2O2 (406.01782399999996)


   

Zimeldine hydrochloride

Zimeldine hydrochloride

C16H21BrCl2N2O (406.0214216)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators

   

3-Ethyl-3,6,6-trihydroxy-5-oxa-9,19-diazahexacyclo[15.4.1.02,7.09,21.011,20.013,18]docosa-1(21),2(7),11(20),12,14,16,18-heptaene-4,8,22-trione

3-Ethyl-3,6,6-trihydroxy-5-oxa-9,19-diazahexacyclo[15.4.1.02,7.09,21.011,20.013,18]docosa-1(21),2(7),11(20),12,14,16,18-heptaene-4,8,22-trione

C21H14N2O7 (406.0800974)


   
   

3-Thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

3-Thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C21H14N2O3S2 (406.0445814)


   

2-[(3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid

2-[(3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid

C22H18N2O2S2 (406.08096479999995)


   

6-[(2,4-Dichlorophenoxy)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(2,4-Dichlorophenoxy)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H12Cl2N4O2S (406.0057992)


   

2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

C17H14N2O6S2 (406.0293264)


   

N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-5-nitro-2-furancarboxamide

N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-5-nitro-2-furancarboxamide

C21H14N2O7 (406.0800974)


   

N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]thio]acetamide

N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]thio]acetamide

C17H12Cl2N4O2S (406.0057992)


   

2-Chloro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid

2-Chloro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid

C16H11ClN4O3S2 (405.9961086)


   

N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C18H19BrN2O2S (406.0350534)


   

4-Nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester

4-Nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester

C18H12Cl2N2O5 (406.0123242)


   

N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C17H15ClN4O2S2 (406.032492)


   

(2S)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

(2R)-2-[(4R,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4R,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

(2S)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

(2S)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

(2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

(2R)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

(2S)-2-[(4R,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4R,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   

2-Thiophenecarboxylic acid 4-[[5-(2-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

2-Thiophenecarboxylic acid 4-[[5-(2-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C21H14N2O3S2 (406.0445814)


   

(2R)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C15H23BrN2O4S (406.05618180000005)


   
   
   

2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-sulooxybutanedioic acid

2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-sulooxybutanedioic acid

C14H14O12S (406.02059640000004)


   

[2-Hydroxy-5-[3-(4-methoxy-1-benzouran-5-yl)-3-oxopropanoyl]phenyl] hydrogen sulate

[2-Hydroxy-5-[3-(4-methoxy-1-benzouran-5-yl)-3-oxopropanoyl]phenyl] hydrogen sulate

C18H14O9S (406.03585140000007)


   

2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethanesulfonic acid

2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethanesulfonic acid

C11H23N2O10PS (406.0810988)


   

glucoiberverin(1-)

glucoiberverin(1-)

C11H20NO9S3 (406.03001700000004)


A thia-alkylglucosinolate resulting from the removal of the proton of the hydrogen sulfate group of glucoiberverin.

   

5,5',6,6',7,7'-hexahydroxy-3-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

5,5',6,6',7,7'-hexahydroxy-3-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

C19H18O10 (406.0899928)


   

(5r)-3-(6-bromo-1h-indol-3-yl)-5-(1h-indol-3-yl)-5,6-dihydro-1h-pyrazin-2-one

(5r)-3-(6-bromo-1h-indol-3-yl)-5-(1h-indol-3-yl)-5,6-dihydro-1h-pyrazin-2-one

C20H15BrN4O (406.042916)


   

methyl 13-chloro-15-formyl-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylate

methyl 13-chloro-15-formyl-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylate

C19H15ClO8 (406.045542)


   

2-chloro-1,3,6,8-tetrahydroxy-7-[(1s)-1-hydroxyhexyl]anthracene-9,10-dione

2-chloro-1,3,6,8-tetrahydroxy-7-[(1s)-1-hydroxyhexyl]anthracene-9,10-dione

C20H19ClO7 (406.08192540000005)


   

2-chloro-1,3,6,8-tetrahydroxy-7-(1-hydroxyhexyl)anthracene-9,10-dione

2-chloro-1,3,6,8-tetrahydroxy-7-(1-hydroxyhexyl)anthracene-9,10-dione

C20H19ClO7 (406.08192540000005)


   

2-(4,5-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

2-(4,5-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

C19H18O10 (406.0899928)


   
   

2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

C19H18O10 (406.0899928)


   

3-[2-(6-bromo-1h-indole-3-carbonyl)-4,5-dihydro-1h-imidazol-4-yl]-1h-indole

3-[2-(6-bromo-1h-indole-3-carbonyl)-4,5-dihydro-1h-imidazol-4-yl]-1h-indole

C20H15BrN4O (406.042916)


   

1,5-dihydroxyxanthone-6-o-β-d-glucoside

1,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one; 1,5-dihydroxyxanthone-6-o-beta-d-glucoside; 1,5-Dihydroxy-6-(beta-D-glucopyranosyloxy)xanthone; AC1NSUSA

C19H18O10 (406.0899928)


{"Ingredient_id": "HBIN001662","Ingredient_name": "1,5-dihydroxyxanthone-6-o-\u03b2-d-glucoside","Alias": "1,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one; 1,5-dihydroxyxanthone-6-o-beta-d-glucoside; 1,5-Dihydroxy-6-(beta-D-glucopyranosyloxy)xanthone; AC1NSUSA","Ingredient_formula": "C19H18O10","Ingredient_Smile": "C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "406.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15140;SMIT18990","TCMID_id": "25863;6183","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316845","DrugBank_id": "NA"}

   

1-o-p-coumaroylglucose; beta-d-form,6-o-sulfate

NA

C15H18O11S (406.0569798)


{"Ingredient_id": "HBIN002930","Ingredient_name": "1-o-p-coumaroylglucose; beta-d-form,6-o-sulfate","Alias": "NA","Ingredient_formula": "C15H18O11S","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9122","PubChem_id": "NA","DrugBank_id": "NA"}

   

1,5-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one

1,5-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one

C19H18O10 (406.0899928)


   

2-(3,5-dihydroxy-4-methoxyphenyl)-5,6-dihydroxy-3,7,8-trimethoxychromen-4-one

2-(3,5-dihydroxy-4-methoxyphenyl)-5,6-dihydroxy-3,7,8-trimethoxychromen-4-one

C19H18O10 (406.0899928)


   

5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]benzene-1,2,3,4-tetrol

5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]benzene-1,2,3,4-tetrol

C18H14O11 (406.0536094)


   

2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

C19H18O10 (406.0899928)


   

1,7-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one

1,7-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one

C19H18O10 (406.0899928)


   

[(2r,3s,4s,5s,6s)-3,4,5,6-tetrakis(acetyloxy)thian-2-yl]methyl acetate

[(2r,3s,4s,5s,6s)-3,4,5,6-tetrakis(acetyloxy)thian-2-yl]methyl acetate

C16H22O10S (406.0933632)


   

(5r)-5-(6-bromo-1h-indol-3-yl)-3-(1h-indol-3-yl)-5,6-dihydro-1h-pyrazin-2-one

(5r)-5-(6-bromo-1h-indol-3-yl)-3-(1h-indol-3-yl)-5,6-dihydro-1h-pyrazin-2-one

C20H15BrN4O (406.042916)


   

(2s)-3-(6-chloro-1h-indol-3-yl)-2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}propanoic acid

(2s)-3-(6-chloro-1h-indol-3-yl)-2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}propanoic acid

C19H16Cl2N2O4 (406.0487076)


   

3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4-hydroxybenzoic acid

3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4-hydroxybenzoic acid

C22H14O8 (406.0688644)


   

3-[(4s)-2-(6-bromo-1h-indole-3-carbonyl)-4,5-dihydro-1h-imidazol-4-yl]-1h-indole

3-[(4s)-2-(6-bromo-1h-indole-3-carbonyl)-4,5-dihydro-1h-imidazol-4-yl]-1h-indole

C20H15BrN4O (406.042916)


   

4-chloro-3-methoxy-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate

4-chloro-3-methoxy-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate

C20H19ClO7 (406.08192540000005)


   

1',4',5,8-tetrahydroxy-3,7'-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone

1',4',5,8-tetrahydroxy-3,7'-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone

C22H14O8 (406.0688644)


   

(1s,1'r)-5,5',6,6',7,7'-hexahydroxy-1'-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

(1s,1'r)-5,5',6,6',7,7'-hexahydroxy-1'-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

C19H18O10 (406.0899928)


   

6-bromo-3-[(4s)-2-(1h-indole-3-carbonyl)-4,5-dihydro-1h-imidazol-4-yl]-1h-indole

6-bromo-3-[(4s)-2-(1h-indole-3-carbonyl)-4,5-dihydro-1h-imidazol-4-yl]-1h-indole

C20H15BrN4O (406.042916)


   

1,3,7-trihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

1,3,7-trihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

C19H18O10 (406.0899928)


   

[3,4,5,6-tetrakis(acetyloxy)thian-2-yl]methyl acetate

[3,4,5,6-tetrakis(acetyloxy)thian-2-yl]methyl acetate

C16H22O10S (406.0933632)


   

1,3,7-trihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

1,3,7-trihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

C19H18O10 (406.0899928)


   

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

C19H18O10 (406.0899928)


   

(2r)-2-{[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}butanedioic acid

(2r)-2-{[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}butanedioic acid

C19H18O10 (406.0899928)


   

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}butanedioic acid

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}butanedioic acid

C19H18O10 (406.0899928)


   

(1r,3r)-5,5',6,6',7,7'-hexahydroxy-3-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

(1r,3r)-5,5',6,6',7,7'-hexahydroxy-3-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

C19H18O10 (406.0899928)


   

5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,8,16-triene-2,12-dione

5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,8,16-triene-2,12-dione

C18H18N2O5S2 (406.06570980000004)


   

3-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-4,6-dihydroxy-2,5-dimethylbenzoic acid

3-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-4,6-dihydroxy-2,5-dimethylbenzoic acid

C19H18O10 (406.0899928)


   

1',4',5,8-tetrahydroxy-3,6'-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone

1',4',5,8-tetrahydroxy-3,6'-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone

C22H14O8 (406.0688644)


   

1,5-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one

1,5-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one

C19H18O10 (406.0899928)


   

5,5',6,6',7,7'-hexahydroxy-1'-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

5,5',6,6',7,7'-hexahydroxy-1'-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

C19H18O10 (406.0899928)


   

1,3,7-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

1,3,7-trihydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

C19H18O10 (406.0899928)


   

methyl 13-chloro-15-formyl-5,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate

methyl 13-chloro-15-formyl-5,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate

C19H15ClO8 (406.045542)


   

3-(6-chloro-1h-indol-3-yl)-2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}propanoic acid

3-(6-chloro-1h-indol-3-yl)-2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}propanoic acid

C19H16Cl2N2O4 (406.0487076)


   

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one

C19H18O10 (406.0899928)


   

(1r,3s)-5,5',6,6',7,7'-hexahydroxy-3-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

(1r,3s)-5,5',6,6',7,7'-hexahydroxy-3-methoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one

C19H18O10 (406.0899928)


   

(1r,4s,5s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,8,16-triene-2,12-dione

(1r,4s,5s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,8,16-triene-2,12-dione

C18H18N2O5S2 (406.06570980000004)


   

[(2r,3s,4s,5s,6r)-3,4,5,6-tetrakis(acetyloxy)thian-2-yl]methyl acetate

[(2r,3s,4s,5s,6r)-3,4,5,6-tetrakis(acetyloxy)thian-2-yl]methyl acetate

C16H22O10S (406.0933632)


   

(5r,6r)-3-{[(1e)-2-[(1-hydroxypropylidene)amino]ethenyl]sulfanyl}-7-oxo-6-[(1s)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5r,6r)-3-{[(1e)-2-[(1-hydroxypropylidene)amino]ethenyl]sulfanyl}-7-oxo-6-[(1s)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C14H18N2O8S2 (406.0504548)