Exact Mass: 446.1549902
Exact Mass Matches: 446.1549902
Found 500 metabolites which its exact mass value is equals to given mass value 446.1549902,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thioproperazine
C22H30N4O2S2 (446.18100799999996)
Thioproperazine is a potent neuroleptic with antipsychotic properties. Thioproperazine has a marked cataleptic and antiapomorphine activity associated with relatively slight sedative, hypothermic and spasmolytic effects. It is virtually without antiserotonin and hypotensive action and has no antihistaminic property. It is used for the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes. Overdosage may result in severe extrapyramidal symptoms with dysphagia, marked sialorrhea, persistent and rapidly increasing hyperthermia, pulmonary syndrome, state of shock with pallor and profuse sweating, which may be followed by collapse and coma. LD50 in mice is 70 mg/kg I.V., 120 mg/kg I.P., 500 mg/kg S.C. and 830 mg/kg P.O. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Thioproperazine (RP 7843) is an orally active antipsychotic agent with calming, antiemetic activity. Thioproperazine is effective in promoting the release of dopamine in rat striatum. Thioproperazine can be used in studies of schizophrenia and bipolar disorder[1].
Osmanthuside A
Osmanthuside C is found in herbs and spices. Osmanthuside C is isolated from Osmanthus fragrans (sweet osmanthus). Isolated from Osmanthus fragrans (sweet osmanthus). Osmanthuside C is found in herbs and spices.
Lucuminic acid
C19H26O12 (446.14241960000004)
Lucuminic acid is found in fruits. Lucuminic acid is a constituent of Calocarpum sapota (marmalade plum) Constituent of Calocarpum sapota (marmalade plum). Lucuminic acid is found in fruits.
Gefitinib
C22H24ClFN4O3 (446.15208759999996)
Gefitinib (originally coded ZD1839) is a drug used in the treatment of certain types of cancer. Acting in a similar manner to erlotinib (marketed as Tarceva), gefitinib selectively targets the mutant proteins in malignant cells. It is marketed by AstraZeneca under the trade name Iressa. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Crosatoside B
Crosatoside B is isolated from the pollen of Crocus sativus (saffron). Isolated from the pollen of Crocus sativus (saffron)
Nesbuvir
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Monotropeoside
C19H26O12 (446.14241960000004)
Monotropeoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Monotropeoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Monotropeoside can be found in bilberry, which makes monotropeoside a potential biomarker for the consumption of this food product.
Gaultherin
C19H26O12 (446.14241960000004)
Gaultherin is a glycoside. Gaultherin is a natural product found in Gaultheria procumbens, Monotropa hypopitys, and other organisms with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Gaultherin, a natural salicylate derivative, is isolated from Gaultheria yunnanensis. Gaultherin is a non-steroidal anti-inflammatory drug (NSAID). Gaultherin has analgesic and anti-inflammatory effects and lack gastric ulcerogenic effect compared to Aspirin[1].
Daphylloside
C19H26O12 (446.14241960000004)
Daphylloside is a glycoside and an iridoid monoterpenoid. Daphylloside is a natural product found in Spermacoce alata, Escallonia myrtoidea, and other organisms with data available.
4-Methyl,2-P-[beta-D-xylopyranosyl-1-6-beta-D-glucopyranoside]-2,4-Dihydroxybenzaldehyde
C19H26O12 (446.14241960000004)
3-methoxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside A
C19H26O12 (446.14241960000004)
2H-1-Benzopyran-3,4-diol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7,8-dimethoxy-, diacetate, [2R-(2.alpha.,3.alpha.,4.alpha.)]-
(2S,4R)-7,4-dihydroxy-6,8-dimethyl-4,2-oxidoflavan-5-O-beta-D-glucopyranoside|abacopterin F
9alpha,13alpha-dihydroxyisopropylidenylisatisine A
erythritol-1-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside
C19H26O12 (446.14241960000004)
Hexa-Ac-4-C-Methyl-myo-C-Methylinositol
C19H26O12 (446.14241960000004)
phenethyl alcohol 8-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|phenethyl alcohol 8-O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranoside|phenethyl alcohol beta-D-(2-O-beta-D-glucopyranosyl)glucopyranoside|phenethyl beta-D-sophoroside|phenethyl O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|Phenethylalcohol 8-O-??-D-glucopyranosyl-(1鈥樏傗垎2)-??-D-glucopyranoside|phenylethyl-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
4-methoxybenzyl-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside
benzoyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
C19H26O12 (446.14241960000004)
4-methoxy-2,5-dimethylphenyl alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranoside|illoliganoside A
nepodin-8-O-beta-D-(60-O-trans-crotonoyl)glucopyranoside|rumexneposide A
cinnacasolide A|methyl 3-hydoxybenzoyl-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
C19H26O12 (446.14241960000004)
dichotomine I|methyl 1-acetyl-8-(beta-D-glucopyranosyloxy)-9H-beta-carboline-3-carboxylate
C21H22N2O9 (446.13252420000003)
7-O-beta-glucopyranosyl demethoxymatteucinol|demethoxymatteucinol-7-O-beta-D-glucopyranoside|demethoxymatteuocinol 7-O-glucopyranoside
5,6,6-Trimethoxy-4,10-dihydroxy-11,12-dimethyl-4,5-(epoxymethanoxy)-2,2-butanobiphenyl-3-carboxylic acid
7-beta-D-glucopyranosyloxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulene-3,10-diol|subavenoside C
(1S)-1-(2-hydroxy-6-methylphenyl)ethanol 2-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside|juniperoside VII
4-hydroxyphenylethyl 4-O-beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranoside|strigoside
beta-hydroxy-phenylethyl-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside
p-hydroxybenzoyl-beta-D-rutinoside
C19H26O12 (446.14241960000004)
2-phenylethyl 6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside|2-phenylethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|2-phenylethyl beta-gentiobioside|phenethyl alcohol beta-D-glucopyranosyl(1- >6)-beta-D-O-glucopyranoside|phenethyl alcohol beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|phenethyl alcohol beta-gentiobioside
(-)-15-methoxypodorhizol|(-)-5-methoxypodorhizol|5-Methoxypodorhizol
betabeta-Pyranose-benzyl glycoside-3-O-beta-D-Glucopyranuronosyl-D-galactose
C19H26O12 (446.14241960000004)
(1R,2R)-1-(3-methoxy-4,5-methylenedioxyphenyl)-2-methyl-3-oxobutyl 3,4,5-trimethoxybenzoate|tsangin B
O-beta-D-Galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->2)-L-erythritol
(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 3-methoxy-4,5-methylenedioxybenzoate|tsangin A
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
C19H26O12 (446.14241960000004)
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C21H22N2O9 (446.13252420000003)
C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside
C19H26O12 (446.14241960000004)
C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside
C19H26O12 (446.14241960000004)
C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate
C19H26O12 (446.14241960000004)
C20H30O11_2-(4-Methoxyphenyl)ethyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)
C19H26O12 (446.14241960000004)
C20H30O11_2-Phenylethyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-[2-(4-methoxyphenyl)ethoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Trichodermamide C
C21H22N2O9 (446.13252420000003)
CONFIDENCE isolated standard
Thioproperazine
C22H30N4O2S2 (446.18100799999996)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Thioproperazine (RP 7843) is an orally active antipsychotic agent with calming, antiemetic activity. Thioproperazine is effective in promoting the release of dopamine in rat striatum. Thioproperazine can be used in studies of schizophrenia and bipolar disorder[1].
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]
C19H26O12 (446.14241960000004)
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based: Match]
C21H22N2O9 (446.13252420000003)
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based on: CCMSLIB00000848485]
C21H22N2O9 (446.13252420000003)
(2R,3R,4S,5S,6R)-2-[2-(4-methoxyphenyl)ethoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol_major
Ala Asp Asn Gln
Ala Asp Gln Asn
Ala Glu Asn Asn
Ala Asn Asp Gln
Ala Asn Glu Asn
Ala Asn Asn Glu
Ala Asn Gln Asp
Ala Gln Asp Asn
Ala Gln Asn Asp
Cys Gly His Met
Cys Gly Met His
Cys His Gly Met
Cys His Met Gly
Cys His Ser Thr
C16H26N6O7S (446.15836060000004)
Cys His Thr Ser
C16H26N6O7S (446.15836060000004)
Cys Met Gly His
Cys Met His Gly
Cys Met Pro Pro
Cys Asn Asn Pro
C16H26N6O7S (446.15836060000004)
Cys Asn Pro Asn
C16H26N6O7S (446.15836060000004)
Cys Pro Met Pro
Cys Pro Asn Asn
C16H26N6O7S (446.15836060000004)
Cys Pro Pro Met
Cys Ser His Thr
C16H26N6O7S (446.15836060000004)
Cys Ser Thr His
C16H26N6O7S (446.15836060000004)
Cys Thr His Ser
C16H26N6O7S (446.15836060000004)
Cys Thr Ser His
C16H26N6O7S (446.15836060000004)
Asp Ala Asn Gln
Asp Ala Gln Asn
Asp Asp Pro Thr
C17H26N4O10 (446.16488560000005)
Asp Asp Thr Pro
C17H26N4O10 (446.16488560000005)
Asp Glu Pro Ser
C17H26N4O10 (446.16488560000005)
Asp Glu Ser Pro
C17H26N4O10 (446.16488560000005)
Asp Gly Gln Gln
Asp Asn Ala Gln
Asp Asn Gln Ala
Asp Pro Asp Thr
C17H26N4O10 (446.16488560000005)
Asp Pro Glu Ser
C17H26N4O10 (446.16488560000005)
Asp Pro Ser Glu
C17H26N4O10 (446.16488560000005)
Asp Pro Thr Asp
C17H26N4O10 (446.16488560000005)
Asp Gln Ala Asn
Asp Gln Gly Gln
Asp Gln Asn Ala
Asp Gln Gln Gly
Asp Ser Glu Pro
C17H26N4O10 (446.16488560000005)
Asp Ser Pro Glu
C17H26N4O10 (446.16488560000005)
Asp Thr Asp Pro
C17H26N4O10 (446.16488560000005)
Asp Thr Pro Asp
C17H26N4O10 (446.16488560000005)
Glu Ala Asn Asn
Glu Asp Pro Ser
C17H26N4O10 (446.16488560000005)
Glu Asp Ser Pro
C17H26N4O10 (446.16488560000005)
Glu Gly Asn Gln
Glu Gly Gln Asn
Glu Asn Ala Asn
Glu Asn Gly Gln
Glu Asn Asn Ala
Glu Asn Gln Gly
Glu Pro Asp Ser
C17H26N4O10 (446.16488560000005)
Glu Pro Ser Asp
C17H26N4O10 (446.16488560000005)
Glu Gln Gly Asn
Glu Gln Asn Gly
Glu Ser Asp Pro
C17H26N4O10 (446.16488560000005)
Glu Ser Pro Asp
C17H26N4O10 (446.16488560000005)
Gly Cys His Met
Gly Cys Met His
Gly Asp Gln Gln
Gly Glu Asn Gln
Gly Glu Gln Asn
Gly His Cys Met
Gly His Met Cys
Gly Met Cys His
Gly Met His Cys
Gly Asn Glu Gln
Gly Asn Gln Glu
Gly Gln Asp Gln
Gly Gln Glu Asn
Gly Gln Asn Glu
Gly Gln Gln Asp
His Cys Gly Met
His Cys Met Gly
His Cys Ser Thr
C16H26N6O7S (446.15836060000004)
His Cys Thr Ser
C16H26N6O7S (446.15836060000004)
His Gly Cys Met
His Gly Met Cys
His Met Cys Gly
His Met Gly Cys
His Ser Cys Thr
C16H26N6O7S (446.15836060000004)
His Ser Thr Cys
C16H26N6O7S (446.15836060000004)
His Thr Cys Ser
C16H26N6O7S (446.15836060000004)
His Thr Ser Cys
C16H26N6O7S (446.15836060000004)
Met Cys Gly His
Met Cys His Gly
Met Cys Pro Pro
Met Gly Cys His
Met Gly His Cys
Met His Cys Gly
Met His Gly Cys
Met Pro Cys Pro
Met Pro Pro Cys
Asn Ala Asp Gln
Asn Ala Glu Asn
Asn Ala Asn Glu
Asn Ala Gln Asp
Asn Cys Asn Pro
C16H26N6O7S (446.15836060000004)
Asn Cys Pro Asn
C16H26N6O7S (446.15836060000004)
Asn Asp Ala Gln
Asn Asp Gln Ala
Asn Glu Ala Asn
Asn Glu Gly Gln
Asn Glu Asn Ala
Asn Glu Gln Gly
Asn Gly Glu Gln
Asn Gly Gln Glu
Asn Asn Ala Glu
Asn Asn Cys Pro
C16H26N6O7S (446.15836060000004)
Asn Asn Glu Ala
Asn Asn Pro Cys
C16H26N6O7S (446.15836060000004)
Asn Pro Cys Asn
C16H26N6O7S (446.15836060000004)
Asn Pro Asn Cys
C16H26N6O7S (446.15836060000004)
Asn Gln Ala Asp
Asn Gln Asp Ala
Asn Gln Glu Gly
Asn Gln Gly Glu
Pro Cys Met Pro
Pro Cys Asn Asn
C16H26N6O7S (446.15836060000004)
Pro Cys Pro Met
Pro Asp Asp Thr
C17H26N4O10 (446.16488560000005)
Pro Asp Glu Ser
C17H26N4O10 (446.16488560000005)
Pro Asp Ser Glu
C17H26N4O10 (446.16488560000005)
Pro Asp Thr Asp
C17H26N4O10 (446.16488560000005)
Pro Glu Asp Ser
C17H26N4O10 (446.16488560000005)
Pro Glu Ser Asp
C17H26N4O10 (446.16488560000005)
Pro Met Cys Pro
Pro Met Pro Cys
Pro Asn Cys Asn
C16H26N6O7S (446.15836060000004)
Pro Asn Asn Cys
C16H26N6O7S (446.15836060000004)
Pro Pro Cys Met
Pro Pro Met Cys
Pro Ser Asp Glu
C17H26N4O10 (446.16488560000005)
Pro Ser Glu Asp
C17H26N4O10 (446.16488560000005)
Pro Thr Asp Asp
C17H26N4O10 (446.16488560000005)
Gln Ala Asp Asn
Gln Ala Asn Asp
Gln Asp Ala Asn
Gln Asp Gly Gln
Gln Asp Asn Ala
Gln Asp Gln Gly
Gln Glu Gly Asn
Gln Glu Asn Gly
Gln Gly Asp Gln
Gln Gly Glu Asn
Gln Gly Asn Glu
Gln Gly Gln Asp
Gln Asn Ala Asp
Gln Asn Asp Ala
Gln Asn Glu Gly
Gln Asn Gly Glu
Gln Gln Asp Gly
Gln Gln Gly Asp
Ser Cys His Thr
C16H26N6O7S (446.15836060000004)
Ser Cys Thr His
C16H26N6O7S (446.15836060000004)
Ser Asp Glu Pro
C17H26N4O10 (446.16488560000005)
Ser Asp Pro Glu
C17H26N4O10 (446.16488560000005)
Ser Glu Asp Pro
C17H26N4O10 (446.16488560000005)
Ser Glu Pro Asp
C17H26N4O10 (446.16488560000005)
Ser His Cys Thr
C16H26N6O7S (446.15836060000004)
Ser His Thr Cys
C16H26N6O7S (446.15836060000004)
Ser Pro Asp Glu
C17H26N4O10 (446.16488560000005)
Ser Pro Glu Asp
C17H26N4O10 (446.16488560000005)
Ser Thr Cys His
C16H26N6O7S (446.15836060000004)
Ser Thr His Cys
C16H26N6O7S (446.15836060000004)
Thr Cys His Ser
C16H26N6O7S (446.15836060000004)
Thr Cys Ser His
C16H26N6O7S (446.15836060000004)
Thr Asp Asp Pro
C17H26N4O10 (446.16488560000005)
Thr Asp Pro Asp
C17H26N4O10 (446.16488560000005)
Thr His Cys Ser
C16H26N6O7S (446.15836060000004)
Thr His Ser Cys
C16H26N6O7S (446.15836060000004)
Thr Pro Asp Asp
C17H26N4O10 (446.16488560000005)
Thr Ser Cys His
C16H26N6O7S (446.15836060000004)
Thr Ser His Cys
C16H26N6O7S (446.15836060000004)
Gefitinib
C22H24ClFN4O3 (446.15208759999996)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Lucuminic acid
C19H26O12 (446.14241960000004)
Osmanthuside A
Crosatoside B
A glycosylglucose derivative that is alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 2-(4-hydroxyphenyl)ethyl group.
Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
2-(4-Methoxyphenyl)ethyl 6-O-?-L-arabinopyranosyl-?-D-glucopyranoside
Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate
1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-α-D-ARABINOFURANOSE
hydroxyzine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics Hydroxyzine dihydrochloride, a benzodiazepine antihistamine agent, acts as a orally active histamine?H1-receptor and serotonin antagonist. Hydroxyzine dihydrochloride has anxiolytic effect and can be used forthe research of generalised anxiety disorder[1][2].
3-[[4-[benzylethylamino]phenyl]azo]-1,2-dimethyl-1H-1,2,4-triazolium methyl sulphate
C20H26N6O4S (446.17361560000006)
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1,1-dimethyl-2-(1-methylethoxy)-2-oxoethyl ester
C24H27ClO6 (446.14960720000005)
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
C22H21F3N4O3 (446.15656720000004)
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
C22H21F3N4O3 (446.15656720000004)
3-ETHYL-5-[(E,2E)-1-PHENYL-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-2-BUTENYLIDENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane
Fmoc-L-Homoarginine Hydrochloride Salt
C22H27ClN4O4 (446.17207320000006)
Cloprostenol Sodium
C22H28ClNaO6 (446.14720180000006)
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents
Cvt-6883
GS-6201 (CVT-6883) is a selective adenosine A2B receptor antagonist. GS-6201 displays high affinity and selectivity for the human adenosine A2B receptors (Ki=22 nM)[1]. GS-6201 reduces caspase-1 activity in the heart, and attenuates cardiac remodeling after acute myocardial infarction (AMI) in the mouse[2]. GS-62013 attenuates the airway reactivity induced by NECA, AMP, or allergen in sensitized mice[3].
2-(2-methylpropoxy)ethyl 2-(2-cyanoethylamino)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzoate
benzene-1,3-dicarboxylic acid,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
C19H26O12 (446.14241960000004)
GW791343
GW791343 dihydrochloride is a potent human P2X7 receptor negative allosteric modulator (exhibits species-specific activity), produces a non-competitive antagonist effect on human P2X7 receptor, with a pIC50 of 6.9-7.2. GW791343 dihydrochloride can enhance ATP rhythm. GW791343 dihydrochloride can be used in study of neurological disease[1][2].
3-Deschloro-4-Desfluoro-4-Chloro-3-Fluoro Gefitinib
C22H24ClFN4O3 (446.15208759999996)
POLYPHENYL ETHER (5 RINGS) OS-124, STAT. PHASE FOR GC
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
N-(Deoxyguanosin-8-yl)-2-aminofluorene
D009676 - Noxae > D002273 - Carcinogens
3-benzyl-4-methyl-7-[(3,4,5-trimethoxybenzyl)oxy]-2H-chromen-2-one
N-(7,8-Dimethoxy-2-oxochromen-3-YL)-4A,5,8-trihydroxy-N-methyl-4,5,8,8A-tetrahydro-1,2-benzoxazine-3-carboxamide
C21H22N2O9 (446.13252420000003)
(2S,4R)-1-Acetyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide
C20H26N6O4S (446.17361560000006)
Nesbuvir
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
methyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]uran-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
2-[2-(4-Methoxyphenyl)ethoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
(2S)-2-[[4-[[(6S)-2,4-dioxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
2-[2-[[(2S)-2-azaniumyl-2-carboxylatoethyl]amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate
C16H22N4O11-2 (446.12850219999996)
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydron;dichloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D003879 - Dermatologic Agents > D000982 - Antipruritics
2-(4-methoxyphenyl)ethyl 6-O-a-L-arabinopyranosyl-b-D-glucopyranoside
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-5-propan-2-yltriazole-4-carboxamide
3-L-valyl-AMP
An L-valyl ester obtained by formal condensation of the carboxy group of L-valine with the 3-hydroxy group of AMP.
2-[4-[(E)-3-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid
4-[2-Nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
C21H26N4O5S (446.16238260000006)
2-[3-(3,4-Dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester
N-[2-(cyclohexylthio)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
C24H22N4O3S (446.14125420000005)
N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate
C16H22N4O11-2 (446.12850219999996)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(4-morpholinyl)phenyl]acetamide
C22H27ClN4O4 (446.17207320000006)
N-[2-[(2S,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
C22H27ClN4O4 (446.17207320000006)
N-[2-[(2R,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
C22H27ClN4O4 (446.17207320000006)
N-[2-[(2S,5S,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
C22H27ClN4O4 (446.17207320000006)
N-[2-[(2S,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
C22H27ClN4O4 (446.17207320000006)
N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
C22H27ClN4O4 (446.17207320000006)
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
N-[2-[(2R,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
C22H27ClN4O4 (446.17207320000006)
(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H27FN2O4S (446.16754740000005)
(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H27FN2O4S (446.16754740000005)
N-[2-[(2R,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
C22H27ClN4O4 (446.17207320000006)
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
(1S,2aS,8bS)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
(6R,7S,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(6R,7R,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H27FN2O4S (446.16754740000005)
(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H27FN2O4S (446.16754740000005)
N-[2-[(2R,5S,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
C22H27ClN4O4 (446.17207320000006)
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
2-[(1S,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C22H26N2O6S (446.15114960000005)
(1S,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(1R,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(1R,2aS,8bS)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(1R,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(6S,7S,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(6S,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(6R,7R,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
(6S,7R,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H23FN4O3 (446.17540999999994)
7,8-dimethoxy-2-phenyl-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
methyl (3R)-2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
4-(3-Acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
C19H26O12 (446.14241960000004)
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] heptanoate
staphyloferrin B(2-)
C16H22N4O11 (446.12850219999996)
A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the amino group of staphyloferrin B; major species at pH 7.3.
OGT-IN-2
C23H27ClN2O3S (446.1430822000001)
OGT-IN-2 (compound 4) is a potent O-GlcNAc transferase (OGT) inhibitor, with IC50 values of 30 and 53 μM for sOGT and ncOGT, respectively[1].
1-[2-({5-amino-1-[(1-carboxylato-2-hydroxyethyl)-c-hydroxycarbonimidoyl]pentyl}-c-hydroxycarbonimidoyl)-3,4-dihydroxyphenyl]-1λ⁵-pyridin-1-ylium
(2r,3r,4s)-2,3,10,10-tetramethyl-6-oxo-8-phenyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl benzoate
C19H26O12 (446.14241960000004)
(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]oxy}-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 7-methoxy-2h-1,3-benzodioxole-5-carboxylate
2-[(4-methoxyphenyl)methoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
(2s,3s,4r,5r,6s)-2-[(4-methoxyphenyl)methoxy]-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
5-butoxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
ethyl (8e,17e,19e)-18-bromotricosa-8,17,19-trien-4,6-diynoate
methyl 2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate
C19H26O12 (446.14241960000004)
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate
C19H26O12 (446.14241960000004)
methyl 7-[(acetyloxy)methyl]-6-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
C19H26O12 (446.14241960000004)
3-(hydroxymethyl)-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
[(2r,3s,4s,5r,6s)-6-[(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-but-2-enoate
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r)-3,4,5-trihydroxy-6-(4-hydroxy-2,3-dimethylphenoxy)oxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(9r,10r,11r)-5,11-dihydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaene-6-carboxylic acid
2-methyl-6-{[3,4,5-trihydroxy-6-(2-hydroxy-2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
10-acetoxymajoroside
C19H26O12 (446.14241960000004)
{"Ingredient_id": "HBIN000045","Ingredient_name": "10-acetoxymajoroside","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "CC(=O)OCC1=C2C(CC1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101006028","DrugBank_id": "NA"}
1-(1-hydroxyethyl)-4β-rutinosyloxybenzene
{"Ingredient_id": "HBIN000442","Ingredient_name": "1-(1-hydroxyethyl)-4\u03b2-rutinosyloxybenzene","Alias": "NA","Ingredient_formula": "C20H30O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10105","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1′-O-benzoylsucrose
C19H26O12 (446.14241960000004)
{"Ingredient_id": "HBIN002845","Ingredient_name": "1\u2032-O-benzoylsucrose","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxyphenylethyl 4-o-β-d-glucopyranosyl-(1→3)-o-α-l-rhamnopyranoside
{"Ingredient_id": "HBIN010566","Ingredient_name": "4-hydroxyphenylethyl 4-o-\u03b2-d-glucopyranosyl-(1\u21923)-o-\u03b1-l-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C20H30O11","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=CC=C(C=C2)CCO)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10619","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[(8r,16s,24r)-1,9,17-triazahexacyclo[14.8.0.0²,⁷.0⁸,¹⁷.0¹⁰,¹⁵.0¹⁸,²³]tetracosa-2,4,6,10,12,14,18,20,22-nonaen-24-ylamino]benzoic acid
methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
C19H26O12 (446.14241960000004)
(4as,5r,8r,8as)-n-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-n-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C21H22N2O9 (446.13252420000003)
(9s,10r)-10-hydroperoxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-one
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl (2e)-3-phenylprop-2-enoate
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
6,8-dihydroxy-3-[(1z)-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-5-yl]ethenyl]isochromen-1-one
(2r,3r,4r)-2,3,10,10-tetramethyl-6-oxo-8-phenyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(2-methylphenyl)methoxy]-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-methoxybenzaldehyde
C19H26O12 (446.14241960000004)
(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(10-methoxy-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-6-yl)methyl acetate
C19H26O12 (446.14241960000004)
11,17-dihydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosa-1(14),3,5,9,11,15(24),16,18(23),21-nonaen-13-one
(2s,3r,4s,5s,6r)-2-{[(3s)-5-chloro-8-hydroxy-7-methyl-3-pentyl-3,4-dihydro-1h-2-benzopyran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,4as,7r,7as)-7-[(acetyloxy)methyl]-7-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
11-ethylidene-7-hydroxy-7,14-dimethyl-2-methylidene-3,12-dioxo-4,13,17-trioxatetracyclo[8.6.1.0¹,⁵.0¹⁰,¹⁴]heptadec-5-en-16-yl 2-(hydroxymethyl)prop-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2e)-3-{4-[2-(4-hydroxyphenyl)ethyl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}prop-2-enoic acid
[(1e,3r,4r,6r,7z,9z,11e)-3,6,13-trihydroxy-1-[(2s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-3-methyltrideca-1,7,9,11-tetraen-4-yl]oxyphosphonic acid
(3s,4s)-3-(hydroxymethyl)-4-[(s)-(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
(3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl)methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
(3s,5r,6s,7s,8r,10r,12s)-5,17-bis(hydroxymethyl)-15-methyl-12-phenyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
(1s,5e,7r,10r,11z,14r,16s)-11-ethylidene-7-hydroxy-7,14-dimethyl-2-methylidene-3,12-dioxo-4,13,17-trioxatetracyclo[8.6.1.0¹,⁵.0¹⁰,¹⁴]heptadec-5-en-16-yl 2-(hydroxymethyl)prop-2-enoate
(2s,3r,4s,5s,6r)-2-(3,4-dimethylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(3s,4r)-3-[(s)-hydroxy(3,4,5-trimethoxyphenyl)methyl]-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
(r)-phenyl({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy})acetic acid
C19H26O12 (446.14241960000004)
2-[2-(acetyloxy)-4,6-dimethoxy-3-methylbenzoyl]-3,5-dimethoxy-6-methylphenyl acetate
(5r,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl (2s)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
C24H21F3O5 (446.13410120000003)
(1s,2s,4r,7z,8r,11r)-7-ethylidene-8-hydroxy-4,11-dimethyl-16-methylidene-6,15-dioxo-5,14,17-trioxatetracyclo[9.5.1.0¹,¹³.0⁴,⁸]heptadec-12-en-2-yl 2-(hydroxymethyl)prop-2-enoate
17-ethylidene-4,14-dimethyl-10-methylidene-9,16-dioxo-5,8,15,18-tetraoxapentacyclo[9.6.1.0¹,¹⁴.0⁴,⁶.0⁷,¹¹]octadecan-12-yl 2-(hydroxymethyl)prop-2-enoate
1,10-dihydroxy-2,8,10-trimethyl-6-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracen-9-one
(3s)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methoxy}pentanoic acid
C19H26O12 (446.14241960000004)
methyl 7-[(acetyloxy)methyl]-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
methyl 7-[(acetyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
methyl 1-(acetyloxy)-3-hydroxy-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate
2-({3,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methyloxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-6-[(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl but-2-enoate
[(4s)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl]methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
1-(2-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone
C19H26O12 (446.14241960000004)
4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}benzoic acid
C19H26O12 (446.14241960000004)
methyl (1s,2r,4r,10s,12r,14s,15s)-2-(acetyloxy)-12-methyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1⁶,⁹.0¹,¹⁵.0¹⁰,¹²]nonadeca-6,8-diene-7-carboxylate
7-ethylidene-8-hydroxy-4,11-dimethyl-16-methylidene-6,15-dioxo-5,14,17-trioxatetracyclo[9.5.1.0¹,¹³.0⁴,⁸]heptadec-12-en-2-yl 2-(hydroxymethyl)prop-2-enoate
(2s,3r,4r,5r,6r)-2-methyl-6-{[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-[(2r)-2-hydroxy-2-phenylethoxy]oxan-2-yl]methoxy}oxane-3,4,5-triol
methyl 2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
C19H26O12 (446.14241960000004)
(1s,2r)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 7-methoxy-2h-1,3-benzodioxole-5-carboxylate
(3ar,4s,6ar,8s,9r,9as,9bs)-8-(acetyloxy)-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 2-[(acetyloxy)methyl]prop-2-enoate
(5r,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl (2r)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
C24H21F3O5 (446.13410120000003)
3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
(2r,3r,4s,5s,6r)-2-[2-(4-methoxyphenyl)ethoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
8-(acetyloxy)-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 2-[(acetyloxy)methyl]prop-2-enoate
methyl (1s,4as,5r,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
(1r,2r)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl 3,4,5-trimethoxybenzoate
(1r,4r,6r,7r,11s,12s,14r,17e)-17-ethylidene-4,14-dimethyl-10-methylidene-9,16-dioxo-5,8,15,18-tetraoxapentacyclo[9.6.1.0¹,¹⁴.0⁴,⁶.0⁷,¹¹]octadecan-12-yl 2-(hydroxymethyl)prop-2-enoate
5,17-bis(hydroxymethyl)-15-methyl-12-phenyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
methyl (1s,4as,5s,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
(2r,3r,4s,5s,6r)-2-[2-(4-methoxyphenyl)ethoxy]-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3s,5r,6s,7s,8r,10s,12s)-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
2-{1,9,17-triazahexacyclo[14.8.0.0²,⁷.0⁸,¹⁷.0¹⁰,¹⁵.0¹⁸,²³]tetracosa-2,4,6,10,12,14,18,20,22-nonaen-24-ylamino}benzoic acid
(3s,4s)-3-(hydroxymethyl)-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
(2e,5r,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl (2s)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
C24H21F3O5 (446.13410120000003)
2-[2-(4-methoxyphenyl)ethoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol
5-(hydroxymethyl)-12-(4-hydroxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
(2e,5r,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl (2r)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
C24H21F3O5 (446.13410120000003)
methyl 2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate
C19H26O12 (446.14241960000004)
1-(2-hydroxy-4-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone
C19H26O12 (446.14241960000004)
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1h-cyclohexa[g]isochromene-6,9-dione
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
C19H26O12 (446.14241960000004)
methyl (1s,3r,3as,7r,7ar)-1-(acetyloxy)-3-hydroxy-1-methyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate
3-{4-[2-(4-hydroxyphenyl)ethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}prop-2-enoic acid
[(1s,4r,7s,8s,10r,11s)-10-methoxy-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-6-yl]methyl acetate
C19H26O12 (446.14241960000004)
(3s,5r,6s,7s,8r,10r,12s)-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
2-[(5-chloro-8-hydroxy-7-methyl-3-pentyl-3,4-dihydro-1h-2-benzopyran-6-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
9-{[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy}-3-hydroxy-7-methoxy-1-methylbenzo[c]chromen-6-one
(3as,4s,5s,5ar,9as,9br)-5-(acetyloxy)-5a-(methoxycarbonyl)-9-methyl-3-methylidene-2-oxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl 3,4,5-trimethoxybenzoate
methyl (1s,4as,6s)-7-[(acetyloxy)methyl]-6-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
C19H26O12 (446.14241960000004)
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl benzoate
C19H26O12 (446.14241960000004)