Exact Mass: 582.1877432
Exact Mass Matches: 582.1877432
Found 437 metabolites which its exact mass value is equals to given mass value 582.1877432
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kanamycin sulfate
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Kanamycin (Kanamycin A) sulfate is an orally active antibacterial (gram-negative/positive bacteria) agent, inhibits translocation and causes misencoding by binding to the 70 S ribosomal subunit. Kanamycin sulfate shows good inhibitory activity to both M. tuberculosis (sensitive and drug-resistant ) and K. pneumonia, which can be used in studies of tuberculosis and pneumonia[1][2][3][4].
10-Acetoxyligustroside
10-Acetoxyligustroside is found in herbs and spices. 10-Acetoxyligustroside is a constituent of osmanthus leaves (Osmanthus fragrans). Constituent of osmanthus leaves (Osmanthus fragrans). 10-Acetoxyligustroside is found in herbs and spices.
(7'R)-(+)-Lyoniresinol 9'-glucoside
(7R)-(+)-Lyoniresinol 9-glucoside is found in fruits. (7R)-(+)-Lyoniresinol 9-glucoside is a constituent of the bark of Aegle marmelos (bael fruit). Constituent of the bark of Aegle marmelos (bael fruit). (7R)-(+)-Lyoniresinol 9-glucoside is found in fruits.
Kuwanon Y
Kuwanon Y is found in fruits. Kuwanon Y is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). Kuwanon Y is found in fruits.
(+)-Lyoniresinol 9-glucoside
(+)-Lyoniresinol 9-glucoside is found in fruits. (+)-Lyoniresinol 9-glucoside is a constituent of the bark of Aegle marmelos (bael fruit). Constituent of the bark of Aegle marmelos (bael fruit). (+)-Lyoniresinol 9-glucoside is found in fruits.
Norrubrofusarin 6-beta-gentiobioside
Norrubrofusarin 6-beta-gentiobioside is found in coffee and coffee products. Norrubrofusarin 6-beta-gentiobioside is a constituent of the seeds of Cassia tora (charota)
4-Methyl-umbelliferyl-N-acetyl-chitobiose
Ivosidenib
Naringin dihydrochalcone
(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
(2r)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). (2r)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside can be found in loquat, which makes (2r)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside a potential biomarker for the consumption of this food product.
Mg-protoporphyrin
Mg-protoporphyrin, also known as magnesium protoporphyrin or mgproto, is a member of the class of compounds known as metalloporphyrins. Metalloporphyrins are polycyclic compounds containing a porphyrin moiety and a metal atom. Mg-protoporphyrin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Mg-protoporphyrin can be found in a number of food items such as flaxseed, sweet orange, agave, and peach (variety), which makes mg-protoporphyrin a potential biomarker for the consumption of these food products.
glutamic acid betaine
Naringin_dihydrochalcone
Naringin dihydrochalcone is a member of flavonoids and a glycoside. Naringin Dihydrochalcone is an artificial sweetener derived from naringin. Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities. Naringin suppresses NF-κB signaling pathway. Naringin Dihydrochalcone is an artificial sweetener derived from naringin. Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities. Naringin suppresses NF-κB signaling pathway.
Calyxin C
Calyxin G
2,6-Dihydroxy-4-methoxy-5-C-methyl-3-C-[5,7-dihydroxy-3-methoxyflavon-8-yl]dihydrochalcone
Epicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside)
Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside)
Auriculatin 4-O-glucoside
Calyxin D
Calyxin K
4-hydroxymethyl-2-methoxyphenyl 1-O-beta-D-[5-O-(4-methoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
2,6-Di-Me ether,8-O-primeveroside-1,2,6,8-Tetrahydroxyxanthone
2,6-Dimethoxy-4-[tetrahydro-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl beta-D-glucopyranoside
(5S,6S,7R,8S)-2-(2-phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-<2-(2-penylethyl)-7-hydroxy-chromonyl-6-oxy>chromone|(5S,6S,7R,8S)-2-(2-phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-[2-(2-penylethyl)-7-hydroxy-chromonyl-6-oxy]chromone|(5S,6S,7R,8S)-2-(2-Phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]-chromone (AH15)|AH15
citrafungin B
A carboxylic ester obtained by the formal condensation of the 4-carboxy group of (2R)-2-hydroxy-2-{(3R,5R)-2-oxo-5-[(1E,5Z,8Z)-tetradeca-1,5,8-trien-1-yl]tetrahydrofuran-3-yl}butanedioic acid with the hydroxy group of 3-carboxy-2,3-dideoxy-L-threo-pentaric acid. It is a fungal metabolite that acts as an inhibitor of geranylgeranyltransferase type I(GGTase I) of pathogenic fungal species.
Me glycoside, 4, 5, 7, 8, 9-penta-Ac, benzyl ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI
6-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]-1,3-dihydroxy-7-methoxyxanthone|polygalaxanthone V
1-C-(2-[(benzyloxy)methyl]-4-hydroxyphenyl) 4-O-D-glucopyranosyl-(1->3)-(1-deoxy-2-O-methyl-beta-D-glucopyranoside|Symplomoside
(6S,7R,8R)-7a-[(beta-D-glucopyranosyl)oxy]lyoniresinol|[(1R,2R,3S)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxynaphthalen-2-yl]methyl beta-D-glucopyranoside
2,8-Di-Me ether,1-O-primeveroside-1,2,6,8-Tetrahydroxyxanthone
7-Hydroxy-3,8-dimethoxy-1--xanthon|7-hydroxy-3,8-dimethoxyxanthone-1-O-[beta-D-xylosyl(1->6)]-beta-D-glucopyranoside|gentiabavaroside|Gentiacaulosid
(1aR,1bS,2S,5aR,6R,6aS)-2-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid methyl ester|6-O-beta-D-galactopyranosylsesamoside
Okanin 4-alpha-L-arabinofuranosyl-(1->4)-glucoside
1-O-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl]-8-hydroxy-3,5-dimethoxyxanthone
5,7,3,4-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Me glycoside,4,6,-O-benzylidene,2,3,3,4-tetra-Ac-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-mannose
ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-oxo-2,3-dihydrobenzofuran-3-yl)-4-(7-acetyl-4,6-dihydroxy-3,5-dimethylbenzofuran-2-yl)-3-oxobutanoate
2?,3?-dihydroxy-4?-methoxydibenzoyl-4?-O-beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranoside|sophodibenzoside A
2?-alpha-L-rhamnopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-3-hydroxy-2-methoxybenzoate
2?,4?-dihydroxy-3?-methoxydibenzoyl-4?-O-beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranoside|sophodibenzoside J
hedyotosides B|maltol 6?-O-(5-O-caffeoyl)-beta-d-apiofuranosyl-beta-d-glucopyranoside|shimobashiraside A
7-O-[alpha-L-rhamnopyranosyl-(1?2)-beta-D-glucopyranosyl]-1,8-dihydroxy-3-methoxyxanthone|kouitchenside I
7-O-(α-L-rhamnopyranosyl)-8-O-(β-D-glucopyranosyl)-1-hydroxy-3-methoxyxanthone|kouitchenside J
2?,3?-dihydroxy-4?-methoxydibenzoyl-4?-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|sophodibenzoside B
2,4,6-trihydroxydihydrochalcone 2,4-di-O-beta-D-glucopyranoside|schoepfiajasmin D
5-(beta-D-glucopyranosyl)-3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl alpha-L-rhamnopyranoside|glycyphyllin C|phloretin 2-alpha-O-L-rhamnopyranosyl-4-beta-O-D-glucopyranosyl diglycoside
(2R,3R)-dihydrokaempferol 3-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|pteleifoside F
(7R,8S,7?R,8?S)-5-methoxyprinsepiol-4-O-beta?D-glucopyranoside
4-methoxyphenyl 1-O-beta-D-[5-O-(3,4-dimethoxybenzoyl)]-apiofuranosyl-(1->6)-beta-D-glucopyranoside|4-Methoxyphenyl 1-O-??-D-[5-O-(3,4-dimethoxybenzoyl)]-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
3,5-bis-4beta-D-glucopyranosyloxy-3-methoxy-trans-stilbene-4-ol
((aR,5S,6S,7S,8R)-8-acetoxy-5,6,7,8-tetrahydro-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyldibenzo[a,c]cycloocten-5-yl) benzenecarboxylate|renchangianin A
(2S)-2,3-dihydro-6-methylginkgetin|2,3-dihydro-6-methylginkgetin
4-O-[alpha-L-Arabinofuranosyl(1鈥樏傗垎4)-beta-D-glucopyranoside]-2,3,3,4,4-Pentahydroxychalcone
pteleifoside G
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside is a lignan that is (+)-lyoniresinol substituted by a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the root barks of Stemmadenia minima and Lycium chinense, it exhibits antimicrobial activities. It has a role as a metabolite, an antibacterial agent and an antifungal agent. It is a beta-D-glucoside, a dimethoxybenzene, a lignan, a primary alcohol, a monosaccharide derivative, a polyphenol and a member of tetralins. It is functionally related to a (+)-lyoniresinol. (+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside is a natural product found in Barleria lupulina, Lycium chinense, and other organisms with data available. A lignan that is (+)-lyoniresinol substituted by a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the root barks of Stemmadenia minima and Lycium chinense, it exhibits antimicrobial activities.
α-Glucosidase-IN-24
1-Hydroxy-2,6-dimethoxy-8-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)xanthone is a natural product found in Swertia kouitchensis with data available.
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[5-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C27H34O14_3-Phenyl-1-{2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-1-propanone
methyl (4S,5Z,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[[5-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
methyl (4S,5Z,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_55.4\\%
methyl (4S,5Z,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_major
methyl (4S,5Z,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_minor
Cys Phe Gln Trp
C28H34N6O6S (582.2260424000001)
Cys Phe Trp Gln
C28H34N6O6S (582.2260424000001)
Cys Gln Phe Trp
C28H34N6O6S (582.2260424000001)
Cys Gln Trp Phe
C28H34N6O6S (582.2260424000001)
Cys Trp Phe Gln
C28H34N6O6S (582.2260424000001)
Cys Trp Gln Phe
C28H34N6O6S (582.2260424000001)
Phe Cys Gln Trp
C28H34N6O6S (582.2260424000001)
Phe Cys Trp Gln
C28H34N6O6S (582.2260424000001)
Phe Gln Cys Trp
C28H34N6O6S (582.2260424000001)
Phe Gln Trp Cys
C28H34N6O6S (582.2260424000001)
Phe Trp Cys Gln
C28H34N6O6S (582.2260424000001)
Phe Trp Gln Cys
C28H34N6O6S (582.2260424000001)
Gln Cys Phe Trp
C28H34N6O6S (582.2260424000001)
Gln Cys Trp Phe
C28H34N6O6S (582.2260424000001)
Gln Phe Cys Trp
C28H34N6O6S (582.2260424000001)
Gln Phe Trp Cys
C28H34N6O6S (582.2260424000001)
Gln Trp Cys Phe
C28H34N6O6S (582.2260424000001)
Gln Trp Phe Cys
C28H34N6O6S (582.2260424000001)
Trp Cys Phe Gln
C28H34N6O6S (582.2260424000001)
Trp Cys Gln Phe
C28H34N6O6S (582.2260424000001)
Trp Phe Cys Gln
C28H34N6O6S (582.2260424000001)
Trp Phe Gln Cys
C28H34N6O6S (582.2260424000001)
Trp Gln Cys Phe
C28H34N6O6S (582.2260424000001)
Trp Gln Phe Cys
C28H34N6O6S (582.2260424000001)
Kuwanon Y
Norrubrofusarin 6-b-gentiobioside
10-Acetoxyligustroside
(+)-lyoniresinol-3a-O-β-glucoside
(+)-Lyoniresinol 9-glucoside
(2S,3S,4S,5R,6R)-6-((7,8-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
AG-120
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor > C168618 - IDH1 inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors IDH1 Inhibitor 8 (91) is isocitrate dehydrogenase 1 (IDH1) inhibitor. IDH1 Inhibitor 8 can be used for the research of cancer[1]. Ivosidenib (AG-120) is an orally active inhibitor of isocitrate dehydrogenase 1 mutant (mIDH1) enzyme, it exhibits profound d-2-hydroxyglutatrate (2-HG) lowering in vivo. Ivosidenib (AG-120) has the potential for AML therapy due to its acceptable safety profile and clinical activity[1].
(3alpha,5beta,6alpha,12Alpha)-3,12-bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
(S)-(-)-(6,6-Dimethoxybiphenyl-2,2-diyl)bis(diphenylphosphine)
1,3-bis(3-chloropropyl)tetrakis-(trimethylsiloxy)disiloxane,tech-95
[2-(propanoyloxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] propanoate
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole,perchlorate
Pyrotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
C33H34N4O4S (582.2300644000001)
1-[4-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
6-[(10,19-Diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
(2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol
A natural product found in Arcangelisia gusanlung.
(2R,3S,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol
A natural product found in Arcangelisia gusanlung.
(2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol
A natural product found in Arcangelisia gusanlung.
(2R,3S,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol
A natural product found in Arcangelisia gusanlung.
1-[2,4,6-Trihydroxy-3,5-bis(beta-D-glucopyranosyl)phenyl]-3-phenyl-1-propanone
(4R,5R)-4-[2-(benzenesulfonyl)ethyl]-N-(2,3-dihydroxypropyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-oxazole-4-carboxamide
C30H34N2O8S (582.2035764000001)
N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
C32H30N4O7 (582.2114389999999)
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
C28H31FN6O5S (582.2060567999999)
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
C28H31FN6O5S (582.2060567999999)
2,3,4-tris-O-[(4-hydroxyphenyl)acetyl]-beta-D-glucopyranose
3,4,5-Trihydroxy-6-[4-(4-hydroxyphenyl)-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxopyrano[2,3-h]chromen-5-yl]oxyoxane-2-carboxylic acid
(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[5-(4-Hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
(R,S)-Ivosidenib
(R,S)-Ivosidenib ((R,S)-AG-120) is the less active enantiomer of Ivosidenib (AG-120)[1].
J-2156 (TFA)
C26H29F3N4O6S (582.1759810000001)
J-2156 TFA is a high potent, selective somatostatin receptor type 4 (SST4 receptor) agonist with IC50s of 0.05 nM and 0.07 nM for human and rat SST4 receptors, respectively. J-2156 TFA has anti-inflammatory activity and it is used for the relief of mechanical allodynia and mechanical hyperalgesia in the ipsilateral hindpaws in rats[1][2].
4-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-6-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
10-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 2-hydroxy-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate
(2r,3r,4s,5s,6r)-2-{[(1s,2r,3s)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-{[(2e)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
[(1s,2r,3r)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-{2,4-dihydroxy-3-[2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
(2e)-3-[(2r,3s)-2-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(2s,3r,4s,5s,6r)-2-{4-[(2s,3r,4r)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-oxo-1-benzofuran-3-yl)-3-oxobutanoate
6-{[3-(acetyloxy)butanoyl]oxy}-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 3-(acetyloxy)butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13s,14s,16s,18r)-2,10,12-tris(acetyloxy)-3-hydroxy-9-(hydroxymethyl)-4,13,18-trimethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.0³,⁷.0¹⁶,¹⁸]octadec-8-en-14-yl acetate
(2r,3r,4s,5s,6r)-2-{[(1s,2r,3r)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3,6,8-trimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5-hydroxy-8-{5-[(2s)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-2-methoxyphenyl}-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
1-[(3-carboxy-2-hydroxy-2-{2-oxo-5-[(1e,5z,8z)-tetradeca-1,5,8-trien-1-yl]oxolan-3-yl}propanoyl)oxy]propane-1,2,3-tricarboxylic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3ar,4s,4's,5'r,6s,7ar)-4'-(benzoyloxy)-3a,4-dihydroxy-5'-methyl-3-oxo-tetrahydro-4h-spiro[1-benzofuran-2,2'-oxane]-6-carboxylate
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-phenylprop-2-enoate
(2r,3r,4s,5s,6r)-2-{[(1s,2s,3r)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,4s,5s,6s,7s)-5-(2,4-dimethoxybenzoyl)-11-methoxy-4,7-bis(4-methoxyphenyl)-3,8-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene
(2s,3r,4s,5s,6r)-2-{3-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl 3,4-dimethoxybenzoate
7-hydroxy-8-[5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-en-1-yl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydro-1-benzopyran-4-one
2-hydroxy-1,6-dimethoxy-8-{[(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}xanthen-9-one
(1s,2s,3s,7s,8r,9r,10r,11s,13s,14r,17r)-7,9,10-tris(acetyloxy)-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-2-yl acetate
(2s)-2-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
7,9,10-tris(acetyloxy)-5,13-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-11-en-2-yl acetate
(2r)-2-[(1ar,1bs,3r,3ar,5r,7br,9r)-3,9-bis(acetyloxy)-1a-[(acetyloxy)methyl]-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate
(2s,3r,4s,5s,6r)-2-{4-[(1r,2r)-1-hydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(1r,2r,3r,4s,5r,7r,8s,9r,11s,12z,14r,17s)-2,7,9-tris(acetyloxy)-5,11-dihydroxy-4,8,17-trimethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-12-yl]methyl acetate
(4s,5z,6s)-5-(2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethylidene)-4-(2-methoxy-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid
7-hydroxy-2-(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydro-1-benzopyran-4-one
2-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
2-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-methoxybenzoate
(2s,3r,4s,5s,6r)-2-(4-{[(3r,4r,5s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2,7,9-tris(acetyloxy)-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-10-yl acetate
[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-methoxybenzoate
(2r)-2-[(1as,1bs,3r,3ar,5s,7br,9r,9ar)-3,9-bis(acetyloxy)-1a-[(acetyloxy)methyl]-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate
3,4-dimethoxyphenyl1-o-β-d-[5-o-(4-methoxybenzoyl)]-apiofura-nosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN007438","Ingredient_name": "3,4-dimethoxyphenyl1-o-\u03b2-d-[5-o-(4-methoxybenzoyl)]-apiofura-nosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H34O14","Ingredient_Smile": "COC1=CC=C(C=C1)C(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OC4=CC(=C(C=C4)OC)OC)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6286","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxyphenyl1-o-β-d-[5-o-(3,4-dimethoxybenzoyl)]-apio-furanosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN010641","Ingredient_name": "4-methoxyphenyl1-o-\u03b2-d-[5-o-(3,4-dimethoxybenzoyl)]-apio-furanosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H34O14","Ingredient_Smile": "COC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C=C4)OC)OC)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14048","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,3'-dibenzoyloxy-3,6,7,4'-tetramethoxyflavone
{"Ingredient_id": "HBIN011015","Ingredient_name": "5,3'-dibenzoyloxy-3,6,7,4'-tetramethoxyflavone","Alias": "NA","Ingredient_formula": "C33H26O10","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC(=O)C5=CC=CC=C5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-5,5'-dimethoxy-9-o-β-d-glucopyranosyllariciresinol
{"Ingredient_id": "HBIN011073","Ingredient_name": "(+)-5,5'-dimethoxy-9-o-\u03b2-d-glucopyranosyllariciresinol","Alias": "NA","Ingredient_formula": "C28H38O13","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2COC(C2COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C(=C4)OC)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6229","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}