Exact Mass: 583.2781176000001

Exact Mass Matches: 583.2781176000001

Found 443 metabolites which its exact mass value is equals to given mass value 583.2781176000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Dihydrostreptomycin

1,1-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine

C21H41N7O12 (583.2813066000001)

S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Origin: Microbe, Glycosides, Aminoglycosides KEIO_ID D108; [MS2] KO008925 KEIO_ID D108

Dihydroergotamine

(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide

C33H37N5O5 (583.2794552)

Dihydroergotamine is only found in individuals that have used or taken this drug. It is a 9,10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. [PubChem]Two theories have been proposed to explain the efficacy of 5-HT_1D receptor agonists in migraine: 1) activation of 5-HT_1D receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache and 2) activation of 5-HT_1D receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

tricoumaroyl spermidine

N1,N5,N10-Tri-p-coumaroylspermidine

C34H37N3O6 (583.2682222000001)

Annotation level-3

Taxine B

10-(Acetyloxy)-1,2,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-(dimethylamino)-3-phenylpropanoic acid

C33H45NO8 (583.3145010000001)

Hikizimycin

C21H37N5O14 (583.2336902)

Brigatinib

5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine

C29H39ClN7O2P (583.2591233999999)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) 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 C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

Dihydroegotamine

N-{7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl}-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide

C33H37N5O5 (583.2794552)

Dihydrostreptomycin

N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine

C21H41N7O12 (583.2813066000001)

M8-Nelfinavir

N-(1-hydroxy-2-methylpropan-2-yl)-2-{2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl}-octahydro-1H-isoquinoline-3-carboxamide

C32H45N3O5S (583.307976)

Pyripyropene A

[6,9-Bis(acetyloxy)-12-hydroxy-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl acetic acid

C31H37NO10 (583.2417342)

ITX-5061 free base

N-(5-Tert-butyl-3-methanesulphonamido-2-methoxyphenyl)-2-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}-2-oxoethanimidic acid

C30H37N3O7S (583.2352092000001)

tricoumaroyl spermidine

N-{3-[N-(4-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidate

C34H37N3O6 (583.2682222000001)

Tricoumaroyl spermidine belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Tricoumaroyl spermidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricoumaroyl spermidine can be found in a number of food items such as winter squash, red rice, common pea, and eggplant, which makes tricoumaroyl spermidine a potential biomarker for the consumption of these food products.

Anthelmycin

C21H37N5O14 (583.2336902)

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent

4-amino-1-[4-amino-O2-(3-amino-beta-D-3-deoxy-glucopyranosyl)-beta-D-glycero-D-galacto-D-gluco-4-deoxy-undecopyranosyl]-1H-pyrimidin-2-one|Hikizimycin

C21H37N5O14 (583.2336902)

L-seryl=>L-histidyl=>L-leucyl=>L-valyl=>L-glutamic acid|L-Seryl=>L-histidyl=>L-leucyl=>L-valyl=>L-glutaminsaeure

C25H41N7O9 (583.2965616)

147444-03-9

C31H37NO10 (583.2417342)

patentine

C33H45NO8 (583.3145010000001)

N,N,N-Tricumaroyl-spermidin

C34H37N3O6 (583.2682222000001)

4-C-[(acetyloxy)methyl]-6-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl]-3-methylpenta-1,3-dien-1-yl}-1-deoxyhex-2-ulopyranose

C29H45NO11 (583.299246)

Youlemycin

C23H45N5O12 (583.306457)

(16S)-8-Acetoxy-20-aethyl-14alpha-benzoyloxy-6alpha,16-dimethoxy-4-methoxymethyl-aconitan-1alpha-ol|(16S)-8-acetoxy-20-ethyl-14alpha-benzoyloxy-6alpha,16-dimethoxy-4-methoxymethyl-aconitan-1alpha-ol|8-acetyl-14-benzoylneoline

(16S)-8-Acetoxy-20-aethyl-14alpha-benzoyloxy-6alpha,16-dimethoxy-4-methoxymethyl-aconitan-1alpha-ol|(16S)-8-acetoxy-20-ethyl-14alpha-benzoyloxy-6alpha,16-dimethoxy-4-methoxymethyl-aconitan-1alpha-ol|8-acetyl-14-benzoylneoline

C33H45NO8 (583.3145010000001)

Pro Pro Asp Gln Gln

C24H37N7O10 (583.2601782)

Tyr Phe Val Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylbutanamido]-5-carbamimidamidopentanoic acid

C29H41N7O6 (583.3118166)

dihydroergotamine

C33H37N5O5 (583.2794552)

Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D002491 - Central Nervous System Agents > D000700 - Analgesics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.880 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.878 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.874

NCGC00180218-02!

C31H37NO10 (583.2417342)

Leu Met Ala His Leu

C26H45N7O6S (583.315187)

THLVD

Thr His Leu Val Asp

C25H41N7O9 (583.2965616)

PPDQQ

A sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups.

tiprostanide

C33H45NO6S (583.2967430000001)

ITX-5061 free base

C30H37N3O7S (583.2352092000001)

(5R,6R)-2,4-Bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane

C34H37N3O6 (583.2682222000001)

Brigatinib

C29H39ClN7O2P (583.2591233999999)

2-[(1S,4S)-5-(diaminomethylideneamino)-2-[(2R,5S)-3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine

2-[(1S,4S)-5-(diaminomethylideneamino)-2-[(2R,5S)-3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine

C21H41N7O12 (583.2813066000001)

All-trans-hexaprenyl diphosphate(3-)

C30H49O7P2-3 (583.2953364000001)

[[(1S,2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methoxy-oxidophosphoryl] phosphate

C30H49O7P2-3 (583.2953364000001)

Hexaprenyl pyrophosphate

C30H49O7P2-3 (583.2953364000001)

(2Z,6Z,10Z,14Z,18E)-hexaprenyl diphosphate

C30H49O7P2-3 (583.2953364000001)

[(5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),6,8,10,16,20,26-heptaen-13-yl] (2R)-2-aminopropanoate

C31H41N3O6S (583.2715926000001)

Presqualene diphosphate(3-)

C30H49O7P2-3 (583.2953364000001)

CID 6602480

C21H41N7O12 (583.2813066000001)

CID 9938266

C33H45NO8 (583.3145010000001)

Ouabain anion

C29H43O12- (583.2754378)

N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide

C27H36F3N5O6 (583.2617552)

1-O-(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronate

C30H47O11- (583.3118211999999)

1-O-(3alpha,6alpha,7alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronate

C30H47O11- (583.3118211999999)

1-Palmitoyl-2-(5-hydroxyvaleroyl)-sn-phosphatidylglycerol(1-)

C27H52O11P- (583.3247071999999)

(6aS,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C33H37N5O5 (583.2794552)

(2R)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2R)-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2R)-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

(2S)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2S)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

C30H38ClN5O5 (583.2561328)

2-[(2S,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

C30H38ClN5O5 (583.2561328)

(2R)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2R)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

(2S)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

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

C30H37N3O7S (583.2352092000001)

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

C30H37N3O7S (583.2352092000001)

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

C30H37N3O7S (583.2352092000001)

(2R)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2R)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

(2R)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2R)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

(2S)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2S)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

2-[(2R,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

C30H38ClN5O5 (583.2561328)

2-[(2R,4aR,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

C30H38ClN5O5 (583.2561328)

N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-ylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide

C34H37N3O6 (583.2682222000001)

(2S)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2S)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C35H41N3O5 (583.3046056000001)

(2R)-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

A nucleoside antibiotic with anthelminthic properties that is isolated from Streptomyces longissimus.

ouabain(1-)

C29H43O12 (583.2754378)

An organic anion that is the conjugate base of ouabain resulting from the deprotonation of the furanone moiety; major species at pH 7.3.

cholic acid 24-O-(beta-D-glucuronide)(1-)

C30H47O11 (583.3118211999999)

A steroid glucuronide anion that is the conjugate base of cholic acid 24-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)

C35H35MgN4O3 (583.255952)

A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Taxine B

C33H45NO8 (583.3145010000001)

A diterpene alkaloid and potent cardiotoxin that is found in the leaves and berries of the European yew (Taxus baccata).

All-trans-hexaprenyl diphosphate(3-)

C30H49O7P2 (583.2953364000001)

The trianion resulting from the removal of the three protons from the diphosphate group of all-trans-hexaprenyl diphosphate; major species at pH 7.3.

Presqualene diphosphate(3-)

C30H49O7P2 (583.2953364000001)

A triply-charged organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of presqualene diphosphate.

hyocholic acid 24-O-(beta-D-glucuronide)(1-)

SB-699551

C34H47Cl2N3O (583.3095992)

SB-699551 is a potent and selective 5-HT5A antagonist with a pKi of 8.3[1]. SB-699551 inhibits tumorsphere formation. SB-699551 reduces phosphorylation of AKT at serine residue 473 (S473), WNK1, PRAS40. SB-699551 shows anticancer activity and has the potential for the research of breast tumor[2][3].

3-ethyl-2-[(1r,11s,12r,13r,14e,19s,21s)-11-hydroxy-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-10-yl]-6h,7h,12h,12bh-indolo[2,3-a]quinolizin-12b-yl

3-ethyl-2-[(1r,11s,12r,13r,14e,19s,21s)-11-hydroxy-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-10-yl]-6h,7h,12h,12bh-indolo[2,3-a]quinolizin-12b-yl

C38H39N4O2 (583.3072854)

(1r,2s,3s,5s,6r,8s,10e,12r,13s,14s,15s,16r,17s)-14-(acetyloxy)-17-benzyl-6,13,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate

(1r,2s,3s,5s,6r,8s,10e,12r,13s,14s,15s,16r,17s)-14-(acetyloxy)-17-benzyl-6,13,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate

C32H41NO9 (583.2781176000001)

(4s,5r)-4-hydroxy-5-({4-hydroxy-3-[(2e,4e,6r)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-2-oxopyridin-1-yl}oxy)-10-methyloxecane-2,7-dione

C31H37NO10 (583.2417342)

(2r,4r,7r)-n-[(1s,2s,4r,7s)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboximidic acid

(2r,4r,7r)-n-[(1s,2s,4r,7s)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboximidic acid

C33H37N5O5 (583.2794552)

(1r,2s,3s,5s,6r,8s,10e,12r,13s,14s,15s,16r,17s)-13-(acetyloxy)-17-benzyl-6,14,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate

(1r,2s,3s,5s,6r,8s,10e,12r,13s,14s,15s,16r,17s)-13-(acetyloxy)-17-benzyl-6,14,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate

C32H41NO9 (583.2781176000001)

13-Deoxo-13 alpha-acetyloxy-1-deoxynortaxine I

13-deoxo-13 alpha-acetyloxy-1-deoxynortaxine i

C33H45NO8 (583.3145010000001)

{"Ingredient_id": "HBIN001164","Ingredient_name": "13-Deoxo-13 alpha-acetyloxy-1-deoxynortaxine I","Alias": "13-deoxo-13 alpha-acetyloxy-1-deoxynortaxine i","Ingredient_formula": "C33H45NO8","Ingredient_Smile": "Not Available","Ingredient_weight": "583.79","OB_score": "25.68443401","CAS_id": "NA","SymMap_id": "SMIT01142","TCMID_id": "30859","TCMSP_id": "MOL002383","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2e)-n-{3-[(2e)-n-(4-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

C34H37N3O6 (583.2682222000001)

(1r,2s,3s,5s,6r,8s,10e,12r,13s,14r,15s,16r,17s)-13-(acetyloxy)-17-benzyl-6,14,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate

(1r,2s,3s,5s,6r,8s,10e,12r,13s,14r,15s,16r,17s)-13-(acetyloxy)-17-benzyl-6,14,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate

C32H41NO9 (583.2781176000001)

8-(acetyloxy)-11-ethyl-16-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C33H45NO8 (583.3145010000001)

C35H37NO7 (583.2569892)