Exact Mass: 416.1637
Exact Mass Matches: 416.1637
Found 500 metabolites which its exact mass value is equals to given mass value 416.1637
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Acetoxypinoresinol
Constituent of Olea europaea (olive). 8-Acetoxypinoresinol is found in many foods, some of which are herbs and spices, pomes, fats and oils, and olive. 8-Acetoxypinoresinol is found in fats and oils. 8-Acetoxypinoresinol is a constituent of Olea europaea (olive).
Phenylethyl primeveroside
Phenylethyl primeveroside is found in herbs and spices. Phenylethyl primeveroside is a constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Phenylethyl primeveroside is found in tea and herbs and spices.
4'-Methylliquiritigenin 7-rhamnoside
4-Methylliquiritigenin 7-rhamnoside is found in fruits. 4-Methylliquiritigenin 7-rhamnoside is a constituent of Prunus cerasoides (wild Himalayan cherry). Constituent of Prunus cerasoides (wild Himalayan cherry). 4-Methylliquiritigenin 7-rhamnoside is found in fruits.
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot)
Agelin
4,5-Dihydro-4-((1-piperazinyl)acetyl)-7-(3-(trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
Thiafentanil
Benzyl alcohol beta-D-rutinoside
Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.
Icariside D1
Icariside d1 is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Icariside d1 is soluble (in water) and a very weakly acidic compound (based on its pKa). Icariside d1 can be found in anise and pomegranate, which makes icariside d1 a potential biomarker for the consumption of these food products.
3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin
Apetalolide
2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
2,3,6-Tri-Me ether,di-Ac-(S)-2,3,4,6,7-Pentahydroxyisoflavan
Phenylethyl O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
(2xi,3aR,10bR)-8-(2-Acetoxy-1-methylethyl)-3,3a-dihydro-7,9,10-trihydroxy-3a,10b-dimethyl-1H-5-oxaacephenanthrilen-4(2H),6(10bH)-dion
8beta-(5-acetoxytiglinoyloxy)-atripliciolide|8beta-<5-acetoxytiglinoyloxy>-atripliciolide
3,4-trans-3-methyl-4-[(5-hydroxy-3,4-methylenedioxyphenyl)(3,4,5-trimethoxyphenyl)methyl]butyrolactone
2-phenylethyl 6-O-alpha-L-arabinofuranosy-beta-D-glucopyranoside|2-phenylethyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside|2-phenylethyl O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside
benzyl-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside
(beta,beta-Dihydroxy-isopropyl)-(O3-alpha-D-mannopyranosyl-alpha-D-galactopyranosid)|(beta,beta-dihydroxy-isopropyl)-(O3-alpha-D-mannopyranosyl-alpha-D-galactopyranoside)
(aS)-(5S,6S,6aS,7S,12bS)-5,6,6a,7-tetrahydro-5,7-dihydroxy-2,3,12-trimethoxy-6,6a-dimethyl-1H-indeno[1,7a:2,3]indeno-[5,6-d]dioxol-1-one|kadsuphilin M
2,3,4-trihydroxy-3-methylbutyl 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]-2-propenoate|evolvoid A
(6S,7S)-6,7-dihydro-1,7-dihydroxy-2,3,13-trimethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8(5H)-one|kadoblongifolin A
O-alpha-D-Galactopyranosyl-(1鈥樏傗垎2)-O-alpha-D-Glucopyranosyl-(1鈥樏傗垎1)-D-glycerol
(1S,2R,5S,6R)-2-(5-methoxy-3,4-methylenedioxyphenyl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
5-methoxy-8,8-dimethyl-10-[(2E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one|Apetalolide|Apetatolide
Benzyl glycoside-4-O-beta-D-Galactopyranosyl-L-rhamnose
4alpha,18-epoxytafricanin A|tafricanin A epoxide|tafricanine A epoxide
(6S,7S)-6,7-dihydro-3,7-dihydroxy-1,2,13-trimethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzo-dioxol-8(5H)-one|kadoblongifolin B
(+)-dictyosphaeric acid A|(2E,4E,6E)-7-((2aS,2a(1)S,5aS,6R,10S)-5a,6-dihydroxy-10-methyl-5,12-dioxo-2a,2a(1),5,5a,6,7,8,9,10,12-decahydrobenzofuro[3,4-cd]oxecin-1-yl)hepta-2,4,6-trienoic acid|dictyophaeric acid A
(2RS)-2-(3-benzoylphenyl)propionyl beta-D-glucopyranoside
comazaphilone E
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities.
comazaphilone C
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. Isolated from Penicillium commune, it exhibits antibacterial activity.
2,6-dimethoxy-4-[(1E)-3,3-dimethoxy-1-propenyl]phenyl beta-D-glucopyranoside
2,3-trans-2-methyl-3-{(3-hydroxy-4,5-dimethoxyphenyl)[5-methoxy-3,4-(methylenedioxy)phenyl]methyl}butyrolactone
(1S,7S,8S,9S)-10-chloro-11-hydroxy-1,7-diisovaleroxyvaltrate chlorohydrin|chlorovaltrate O
(+)-3,5,7-trihydroxy-3-[3-hydroxy-2,4-dimethoxy-5-(3-methyl-2-butenyl)]-phenyl-4H-1-benzopyran-4-one|sophoranone
benzyl-O-alpha-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside
9beta-hydroxy-8beta-(5-acetoxytiglinoyloxy)-2-oxo-lasiolaenin|9beta-hydroxy-8beta-<5-acetoxytiglinoyloxy>-2-oxo-lasiolaenin
icariside DC|phenylethyl 1-O-beta-D-apiofuranosyl-(1->4)-beta-D-glucopyranoside
3-hydroxy-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside
(2S,4S,5R,6R,7S,8R)-6-O-(3,9-dideoxy-D-threo-D-altro-nononic acid-2--yl)-D-glucopyranose
8alpha-senecioyloxy-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate
Benzyl glycoside-alpha-Pyranose-3-O-beta-D-Glucopyranosyl-L-rhamnose
Diacetic acid 1,3-dioxane-4,5-diylbis(3-methoxy-p-phenylene) ester
((R)-2,3-Dihydroxy-propyl)-(O6-alpha-D-galactopyranosyl-beta-D-galactopyranosid)|((R)-2,3-dihydroxy-propyl)-(O6-alpha-D-galactopyranosyl-beta-D-galactopyranoside)|(2R)-1-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl] glycerol|(2R)-3-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]-sn-glycerol|(2R)-3-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]glycerol|1-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]glycerol|3-O-alpha-D-galactopyranosyl(1<*>6)-O-beta-D-galactopyranosyl-sn-glycerol
3-(Hydroxymethyl)-3,4-dihydro-4-(3,5-dimethoxy-4-hydroxyphenyl)-5,7-dimethoxy-6-hydroxynaphthalene-2-carbaldehyde
2-(3,4,5-trimethoxyphenyl)-3,7-dihydroxy-6-((Z)-2-carboxyvinyl)-8-methyl-2,3-dihydro-1-benzopyran|malloapeltic acid
deoxypicropodophyllinic acid|Desoxypicropodophyllinsaeure
Benzyl glycoside-alphaalpha-Pyranose-2-O-beta-D-Glucopyranosyl-L-rhamnose
(2S,3S)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl
C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl
C22H24O8_(2E)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2E)-4-acetoxy-2-methyl-2-butenoate
C22H24O8_Benzoic acid, 3,6-dihydroxy-4-methoxy-2-methyl-, (6R,7R)-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester
C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester
C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848266]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]
Cyproterone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9521; ORIGINAL_PRECURSOR_SCAN_NO 9516 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9556; ORIGINAL_PRECURSOR_SCAN_NO 9553 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9587; ORIGINAL_PRECURSOR_SCAN_NO 9585 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9594; ORIGINAL_PRECURSOR_SCAN_NO 9592 ORIGINAL_PRECURSOR_SCAN_NO 9592; CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9594 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9566; ORIGINAL_PRECURSOR_SCAN_NO 9564 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9608; ORIGINAL_PRECURSOR_SCAN_NO 9606
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_major
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol_major
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_major
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate_major
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_14.0\\%
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_64.2\\%
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_minor
Ala Cys His Ser
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3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
4'-Methylliquiritigenin 7-rhamnoside
2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
Benzyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
2-Phenylethyl 2-O-?-D-xylopyranosyl-?-D-glucopyranoside
3-Hydroxy-1-[(4-methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy]-3-methyl-2-butanyl (2E)-2-methyl-2-butenoate
4-(1,3-Benzodioxol-5-ylmethyl)-3-[hydroxy(3,4,5-trimethoxyphenyl) methyl]dihydro-2(3H)-furanone
3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol
Pyrinoline
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
3H-Indolium, 2-(2-(4-((2-chloroethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
7,7-dimethyl-1-(4-methylphenyl)-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione
3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
(S)-3-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,hexanedioic acid
methyl 3-((2-(N-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate
1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoroindolin-1-yl)-2-(6-methylpyridin-2-yl)ethanone
[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid
N-[[5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophen-2-yl]methyl]pyridin-3-amine
Benzyl alcohol beta-D-rutinoside
Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.
2-Phenylethyl beta-primeveroside
A 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside in which the anomeric substituent is specified as 2-phenylethyl.
Phenethyl 2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside
[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate
4-(beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate
evolvoid A
A cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug.
methyl 2-[3-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetate
ethyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
4-[4-Diethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
WURCS=2.0/3,3,2/[hxh][a2122h-1b_1-5][a2112h-1b_1-5]/1-2-3/a3-b1_b4-c1
(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
(6R,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
(6S,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
WURCS=2.0/3,3,2/[hxh][a2122h-1a_1-5][a2112h-1a_1-5]/1-2-3/a3-b1_b2-c1
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2,3-dihydroxypropyl 2-O-alpha-D-glucopyranosyl-beta-D-galactofuranoside
1-O-(4-O-alpha-D-glucoopyranosyl-beta-D-galactopyranosyl)-glycerol
2-(D-glucopyranosyloxy)-3-hydroxypropyl D-galactopyranoside
1-(D-glucopyranosyloxy)-3-hydroxypropan-2-yl D-galactopyranoside
(E,6R)-6-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxyhept-2-enoate
3-(7,12-Dihydroxy-10-methoxy-4,5,5,14-tetramethyl-9-oxo-3-oxatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaen-10-yl)-2-hydroxypropanoic acid
2-[2-[(E)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]-3-oxocyclopenten-1-yl]acetic acid
EN4
EN4 is a covalent ligand that targets cysteine 171 (C171) of MYC. EN4 is selective for c-MYC over N-MYC and L-MYC. EN4 inhibits MYC transcriptional activity, downregulates MYC targets, and impairs tumorigenesis[1].
3-hydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}-2-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-1-one
(3s,4s)-4-[(s)-(4-hydroxy-3,5-dimethoxyphenyl)(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
(2r,4'as,5'r,5''s,6'r,8'as)-5''-(furan-3-yl)-6'-methyl-2',2'',8'-trioxo-tetrahydro-3'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(6r,7r)-6-hydroxy-7-methyl-8-oxo-3-(prop-1-en-1-yl)-5,6-dihydro-1h-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
5,7-dihydroxy-2-{4-hydroxy-3-[(3s)-4-hydroxy-3-methylbutyl]phenyl}-3,6-dimethoxychromen-4-one
(1s,11s,12s,13s,14s)-11,14-dihydroxy-3,17,18-trimethoxy-12,13-dimethyl-5,7-dioxapentacyclo[10.7.0.0¹,¹⁵.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,15,17-pentaen-19-one
(3s,4s)-4-[(r)-(7-hydroxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
methyl 4-(3-formyl-4,6-dihydroxy-2,5-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate
(1s,2r,6s,7s,10r,12r,14s)-14-methyl-5,9-dimethylidene-4,8-dioxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-2-[(acetyloxy)methyl]but-2-enoate
(1r)-10-hydroxy-3-methyl-1-propyl-8-[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]-1h-cyclohexa[g]isochromene-6,9-dione
(2z,4s,8s,9r,11r)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2e)-2-[(acetyloxy)methyl]but-2-enoate
(2s,3r,4s,5s,6r)-2-{4-[(1e)-3,3-dimethoxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3as,4r,5r,9as,9br)-5-(acetyloxy)-6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
7-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(2e)-4-[(1s,2s,6s)-4-[chloro(methoxy)methyl]-2-hydroxy-3-(2-hydroxyheptyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
(1r,2r,4s,5r,6s,9s,10r,11s,13s)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylbutanoate
(2r,3r,4s)-4-[bis(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-ol
(1s)-2-[(1r,2s,4s,9r,12s,13r)-4,13-dihydroxy-11-methylidene-7-oxo-8,14-dioxatetracyclo[7.6.0.0¹,⁶.0²,¹²]pentadec-5-en-12-yl]-1-(furan-3-yl)ethyl acetate
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-2-(2-phenylethoxy)oxane-3,4-diol
(1r)-8-[(2r,3r,4s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-1h-cyclohexa[g]isochromene-6,9-dione
(2s,3s,4r,5r,6s)-4-(benzyloxy)-2-{[(3r,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,5-diol
6-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(1s,2s,11s,18s)-7,9,13,15-tetramethoxy-4,19-dioxapentacyclo[9.9.0.0²,¹⁸.0⁵,¹⁰.0¹²,¹⁷]icosa-5(10),6,8,12(17),13,15-hexaene-8,14-diol
(2r,3s,4s,5r,6r)-2-({[(2r,3s,4s)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
(11s,12r,13s,14s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene-11,14-diol
(6s,7s)-6-hydroxy-3-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(3s,4s)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
(1s,2r,5r,6s,10r,11r,14r)-5,10-dihydroxy-2,6-dimethyl-9,13-dioxo-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecan-14-yl benzoate
2-phenylethyl β-primeveroside
{"Ingredient_id": "HBIN006317","Ingredient_name": "2-phenylethyl \u03b2-primeveroside","Alias": "NA","Ingredient_formula": "C19H28O10","Ingredient_Smile": "C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
{"Ingredient_id": "HBIN006695","Ingredient_name": "(2s,3s)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2C(COC2=O)CC3=CC4=C(C(=C3)OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10014","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-(+)-5'-methoxyyatein
{"Ingredient_id": "HBIN006724","Ingredient_name": "(2s,3s)-(+)-5'-methoxyyatein","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)C3=CC4=C(C(=C3)OC)OCO4","Ingredient_weight": "416.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101271469","DrugBank_id": "NA"}
7-hydroxyyatein
{"Ingredient_id": "HBIN013295","Ingredient_name": "7-hydroxyyatein","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3O)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10832","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r,8'r)-4-hydroxycubebinone
{"Ingredient_id": "HBIN013892","Ingredient_name": "(8r,8'r)-4-hydroxycubebinone","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2COC(=O)C2CC3=CC4=C(C(=C3)OC)OCO4","Ingredient_weight": "416.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3013841","DrugBank_id": "NA"}
benzyl 6-o-α-l-rhamnopyranosyl-(1→6)β-d-glucopyranoside
{"Ingredient_id": "HBIN017841","Ingredient_name": "benzyl 6-o-\u03b1-l-rhamnopyranosyl-(1\u21926)\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2296","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}