Exact Mass: 478.16613
Exact Mass Matches: 478.16613
Found 500 metabolites which its exact mass value is equals to given mass value 478.16613
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kelampayoside A
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside is a glycoside. It has a role as a metabolite. Kelampayoside A is a natural product found in Strychnos axillaris, Cinnamomum iners, and other organisms with data available. Kelampayoside A is found in chinese cinnamon. Kelampayoside A is isolated from Cinnamomum cassia (Chinese cinnamon). A natural product found in Acer saccharum.
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate is found in beverages. Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate is a constituent of saffron (Crocus sativus)
Enterodiol glucuronide
Deshydroxyethoxy Ticagrelor
C21H24F2N6O3S (478.15985780000005)
3,4-Dihydroxyphenylethanol-4-diglucoside
3,4-dihydroxyphenylethanol-4-diglucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4-dihydroxyphenylethanol-4-diglucoside can be found in olive, which makes 3,4-dihydroxyphenylethanol-4-diglucoside a potential biomarker for the consumption of this food product.
Calcium pantothenate
Nutrient supplement, may be used in infant formulas. Enzyme cofactor vitamin. Pantothenic acid is a water-soluble vitamin. For many animals, pantothenic acid is an essential nutrient. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. Nutrient supplement, may be used in infant formulas. Enzyme cofactor vitamin
Rocagloic acid
Rocagloic Acid is a natural product found in Aglaia rimosa, Aglaia rubiginosa, and other organisms with data available.
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2S)-7-hydroxy-8-hydroxyethyl-4-methoxyflavane-2-O-beta-D-glucopyranoside|7,2-dihydroxy-8-hydroxyethyl-4-methoxyflavane-2-O-beta-D-glucopyranoside
(2S)-7-methoxy-8-hydroxyethyl-4-hydroxyflavane-2-O-beta-D-glucopyranoside
10alpha-acetoxy-8alpha-methacroyloxy-1alpha-methoxyhirsutinolide-13-O-acetate
(4-hydroxy-3-methoxyphenyl)methanol-1-O-beta-D-gentobioside
6beta,9beta-diacetoxy-4(15)-en-1alpha,10alpha-epoxy-5alpha-(2-methylbutyryloxy)-2-oxo-7,8alpha-germacranolide
scroside D
A disaccharide derivative that consists of hydroxytyrosol in which the alcoholic hydroxy group is glycosylated with a 3-O-beta-D-glucopyranosyl-D-glucopyranosyl residue. Isolated from Picrorhiza scrophulariiflora, it exhibits antioxidant activity.
(2E)-3-phenylprop-2-enoic acid [(1S,4aR,5S,7aS,)-1-(beta-D-glucopyranosyloxy)-1,3-4,4a,5,7a-hexahydro-5-hydroxycyclopenta[c]pyran-7-yl]methyl ester|sintenoside
2alpha,13-diacetoxy-8alpha-angeloyloxy-4alpha,14-dihydroxygermacra-1(10)E,5E,7(11)-trien-12,6-olide
4-hydroxy-3-methoxybenzyl alcohol 4-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside|adenophoraside E
(7R,8R)-3-methoxyl-9-O-beta-D-xylopyranosyl-4:7,5:8-diepoxyneodiepoxyneolignan-4,9-diol
1,2-dihydroxy-4,6-dimethoxybenzene 1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|2-hydroxy-4,6-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
(2E)-3-phenylprop-2-enoic acid rel-(1R,4aR,7R,7aR)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methylcylopenta[c]pyran-7-yl ester|6-deoxyharpagoside|corvifloruside E
(3aR,4S,5aR,6R,9R,9bR)-9-formyldodecahydro-6-hydroxy-5a-methyl-3-methylidene-2-oxonaphtho[1,2-b]furan-4-yl 4-(acetyloxy)-2-[(acetyloxy)methyl]but-2-enoate|8alpha-O-(4,5-diacetoxyangeloyl)sonchucarpolide
2,4,6-trimethoxyphenol 1-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|2,4,6-Trimethoxyphenyl 1-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
3-alpha-acetoxymaoesin A|3alpha,19-diacetoxy-6alpha,20-dihydroxy-6,11beta-epoxy-15-oxo-6,7-seco-ent-kaur-16-en-1beta,7-olide
4-hydroxymethyl-2,6-dimethoxyphenyl 1-O-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside|potalioside B
1-(4-hydroxyphenyl)ethane-1,2-diol-1,2-bis-O-beta-D-glucopyranoside
(1S,4aS,5R,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-1-{{6-O-[2-hydroxy-1-(hydroxymethyl)ethyl]-beta-D-glucoyranosyl}oxy}-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid methyl ester|6-O-(2-glyceryl)scandoside methyl ester
Asp Glu Thr Asp
C17H26N4O12 (478.15471560000003)
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2S,3R,4S,5R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
(2S,3R,4S,5R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one [IIN-based: Match]
8-2-Amino-3,8-dimmethylimidazo[4,5-f]quinoxaline-deoxyguanosine
(2S,3R,4S,5R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_4.3\\%
Ala Glu Glu Met
C18H30N4O9S (478.17334100000005)
Ala Glu Met Glu
C18H30N4O9S (478.17334100000005)
Ala Met Glu Glu
C18H30N4O9S (478.17334100000005)
Cys Asp Glu Ile
C18H30N4O9S (478.17334100000005)
Cys Asp Glu Leu
C18H30N4O9S (478.17334100000005)
Cys Asp Ile Glu
C18H30N4O9S (478.17334100000005)
Cys Asp Lys Asn
Cys Asp Leu Glu
C18H30N4O9S (478.17334100000005)
Cys Asp Asn Lys
Cys Asp Asn Gln
Cys Asp Gln Asn
Cys Glu Asp Ile
C18H30N4O9S (478.17334100000005)
Cys Glu Asp Leu
C18H30N4O9S (478.17334100000005)
Cys Glu Glu Val
C18H30N4O9S (478.17334100000005)
Cys Glu Ile Asp
C18H30N4O9S (478.17334100000005)
Cys Glu Leu Asp
C18H30N4O9S (478.17334100000005)
Cys Glu Met Pro
Cys Glu Asn Asn
Cys Glu Pro Met
Cys Glu Val Glu
C18H30N4O9S (478.17334100000005)
Cys Gly His Tyr
C20H26N6O6S (478.16344560000005)
Cys Gly Asn Trp
C20H26N6O6S (478.16344560000005)
Cys Gly Trp Asn
C20H26N6O6S (478.16344560000005)
Cys Gly Tyr His
C20H26N6O6S (478.16344560000005)
Cys His Gly Tyr
C20H26N6O6S (478.16344560000005)
Cys His Tyr Gly
C20H26N6O6S (478.16344560000005)
Cys Ile Asp Glu
C18H30N4O9S (478.17334100000005)
Cys Ile Glu Asp
C18H30N4O9S (478.17334100000005)
Cys Lys Asp Asn
Cys Lys Asn Asp
Cys Leu Asp Glu
C18H30N4O9S (478.17334100000005)
Cys Leu Glu Asp
C18H30N4O9S (478.17334100000005)
Cys Met Glu Pro
Cys Met Pro Glu
Cys Asn Asp Lys
Cys Asn Asp Gln
Cys Asn Glu Asn
Cys Asn Gly Trp
C20H26N6O6S (478.16344560000005)
Cys Asn Lys Asp
Cys Asn Asn Glu
Cys Asn Gln Asp
Cys Asn Trp Gly
C20H26N6O6S (478.16344560000005)
Cys Pro Glu Met
Cys Pro Met Glu
Cys Gln Asp Asn
Cys Gln Asn Asp
Cys Gln Gln Thr
Cys Gln Thr Gln
Cys Thr Gln Gln
Cys Val Glu Glu
C18H30N4O9S (478.17334100000005)
Cys Trp Gly Asn
C20H26N6O6S (478.16344560000005)
Cys Trp Asn Gly
C20H26N6O6S (478.16344560000005)
Cys Tyr Gly His
C20H26N6O6S (478.16344560000005)
Cys Tyr His Gly
C20H26N6O6S (478.16344560000005)
Asp Cys Glu Ile
C18H30N4O9S (478.17334100000005)
Asp Cys Glu Leu
C18H30N4O9S (478.17334100000005)
Asp Cys Ile Glu
C18H30N4O9S (478.17334100000005)
Asp Cys Lys Asn
Asp Cys Leu Glu
C18H30N4O9S (478.17334100000005)
Asp Cys Asn Lys
Asp Cys Asn Gln
Asp Cys Gln Asn
Asp Asp Glu Thr
C17H26N4O12 (478.15471560000003)
Asp Asp Met Val
C18H30N4O9S (478.17334100000005)
Asp Asp Thr Glu
C17H26N4O12 (478.15471560000003)
Asp Asp Val Met
C18H30N4O9S (478.17334100000005)
Asp Glu Cys Ile
C18H30N4O9S (478.17334100000005)
Asp Glu Cys Leu
C18H30N4O9S (478.17334100000005)
Asp Glu Asp Thr
C17H26N4O12 (478.15471560000003)
Asp Glu Glu Ser
C17H26N4O12 (478.15471560000003)
Asp Glu Ile Cys
C18H30N4O9S (478.17334100000005)
Asp Glu Leu Cys
C18H30N4O9S (478.17334100000005)
Asp Glu Ser Glu
C17H26N4O12 (478.15471560000003)
Asp Ile Cys Glu
C18H30N4O9S (478.17334100000005)
Asp Ile Glu Cys
C18H30N4O9S (478.17334100000005)
Asp Lys Cys Asn
Asp Lys Asn Cys
Asp Leu Cys Glu
C18H30N4O9S (478.17334100000005)
Asp Leu Glu Cys
C18H30N4O9S (478.17334100000005)
Asp Met Asp Val
C18H30N4O9S (478.17334100000005)
Asp Met Val Asp
C18H30N4O9S (478.17334100000005)
Asp Asn Cys Lys
Asp Asn Cys Gln
Asp Asn Lys Cys
Asp Asn Gln Cys
Asp Gln Cys Asn
Asp Gln Asn Cys
Asp Ser Glu Glu
C17H26N4O12 (478.15471560000003)
Asp Thr Asp Glu
C17H26N4O12 (478.15471560000003)
Asp Thr Glu Asp
C17H26N4O12 (478.15471560000003)
Asp Val Asp Met
C18H30N4O9S (478.17334100000005)
Asp Val Met Asp
C18H30N4O9S (478.17334100000005)
Glu Ala Glu Met
C18H30N4O9S (478.17334100000005)
Glu Ala Met Glu
C18H30N4O9S (478.17334100000005)
Glu Cys Asp Ile
C18H30N4O9S (478.17334100000005)
Glu Cys Asp Leu
C18H30N4O9S (478.17334100000005)
Glu Cys Glu Val
C18H30N4O9S (478.17334100000005)
Glu Cys Ile Asp
C18H30N4O9S (478.17334100000005)
Glu Cys Leu Asp
C18H30N4O9S (478.17334100000005)
Glu Cys Met Pro
Glu Cys Asn Asn
Glu Cys Pro Met
Glu Cys Val Glu
C18H30N4O9S (478.17334100000005)
Glu Asp Cys Ile
C18H30N4O9S (478.17334100000005)
Glu Asp Cys Leu
C18H30N4O9S (478.17334100000005)
Glu Asp Asp Thr
C17H26N4O12 (478.15471560000003)
Glu Asp Glu Ser
C17H26N4O12 (478.15471560000003)
Glu Asp Ile Cys
C18H30N4O9S (478.17334100000005)
Glu Asp Leu Cys
C18H30N4O9S (478.17334100000005)
Glu Asp Ser Glu
C17H26N4O12 (478.15471560000003)
Glu Asp Thr Asp
C17H26N4O12 (478.15471560000003)
Glu Glu Ala Met
C18H30N4O9S (478.17334100000005)
Glu Glu Cys Val
C18H30N4O9S (478.17334100000005)
Glu Glu Asp Ser
C17H26N4O12 (478.15471560000003)
Glu Glu Met Ala
C18H30N4O9S (478.17334100000005)
Glu Glu Ser Asp
C17H26N4O12 (478.15471560000003)
Glu Glu Val Cys
C18H30N4O9S (478.17334100000005)
Glu Ile Cys Asp
C18H30N4O9S (478.17334100000005)
Glu Ile Asp Cys
C18H30N4O9S (478.17334100000005)
Glu Leu Cys Asp
C18H30N4O9S (478.17334100000005)
Glu Leu Asp Cys
C18H30N4O9S (478.17334100000005)
Glu Met Ala Glu
C18H30N4O9S (478.17334100000005)
Glu Met Cys Pro
Glu Met Glu Ala
C18H30N4O9S (478.17334100000005)
Glu Met Pro Cys
Glu Asn Cys Asn
Glu Asn Asn Cys
Glu Pro Cys Met
Glu Pro Met Cys
Glu Ser Asp Glu
C17H26N4O12 (478.15471560000003)
Glu Ser Glu Asp
C17H26N4O12 (478.15471560000003)
Glu Thr Asp Asp
C17H26N4O12 (478.15471560000003)
Glu Val Cys Glu
C18H30N4O9S (478.17334100000005)
Glu Val Glu Cys
C18H30N4O9S (478.17334100000005)
Gly Cys His Tyr
C20H26N6O6S (478.16344560000005)
Gly Cys Asn Trp
C20H26N6O6S (478.16344560000005)
Gly Cys Trp Asn
C20H26N6O6S (478.16344560000005)
Gly Cys Tyr His
C20H26N6O6S (478.16344560000005)
Gly His Cys Tyr
C20H26N6O6S (478.16344560000005)
Gly His Tyr Cys
C20H26N6O6S (478.16344560000005)
Gly Asn Cys Trp
C20H26N6O6S (478.16344560000005)
Gly Asn Trp Cys
C20H26N6O6S (478.16344560000005)
Gly Trp Cys Asn
C20H26N6O6S (478.16344560000005)
Gly Trp Asn Cys
C20H26N6O6S (478.16344560000005)
Gly Tyr Cys His
C20H26N6O6S (478.16344560000005)
Gly Tyr His Cys
C20H26N6O6S (478.16344560000005)
His Cys Gly Tyr
C20H26N6O6S (478.16344560000005)
His Cys Tyr Gly
C20H26N6O6S (478.16344560000005)
His Gly Cys Tyr
C20H26N6O6S (478.16344560000005)
His Gly Tyr Cys
C20H26N6O6S (478.16344560000005)
His Tyr Cys Gly
C20H26N6O6S (478.16344560000005)
His Tyr Gly Cys
C20H26N6O6S (478.16344560000005)
Ile Cys Asp Glu
C18H30N4O9S (478.17334100000005)
Ile Cys Glu Asp
C18H30N4O9S (478.17334100000005)
Ile Asp Cys Glu
C18H30N4O9S (478.17334100000005)
Ile Asp Glu Cys
C18H30N4O9S (478.17334100000005)
Ile Glu Cys Asp
C18H30N4O9S (478.17334100000005)
Ile Glu Asp Cys
C18H30N4O9S (478.17334100000005)
Lys Cys Asp Asn
Lys Cys Asn Asp
Lys Asp Cys Asn
Lys Asp Asn Cys
Lys Asn Cys Asp
Lys Asn Asp Cys
Leu Cys Asp Glu
C18H30N4O9S (478.17334100000005)
Leu Cys Glu Asp
C18H30N4O9S (478.17334100000005)
Leu Asp Cys Glu
C18H30N4O9S (478.17334100000005)
Leu Asp Glu Cys
C18H30N4O9S (478.17334100000005)
Leu Glu Cys Asp
C18H30N4O9S (478.17334100000005)
Leu Glu Asp Cys
C18H30N4O9S (478.17334100000005)
Met Ala Glu Glu
C18H30N4O9S (478.17334100000005)
Met Cys Glu Pro
Met Cys Pro Glu
Met Asp Asp Val
C18H30N4O9S (478.17334100000005)
Met Asp Val Asp
C18H30N4O9S (478.17334100000005)
Met Glu Ala Glu
C18H30N4O9S (478.17334100000005)
Met Glu Cys Pro
Met Glu Glu Ala
C18H30N4O9S (478.17334100000005)
Met Glu Pro Cys
Met Asn Asn Thr
Met Asn Gln Ser
Met Asn Ser Gln
Met Asn Thr Asn
Met Pro Cys Glu
Met Pro Glu Cys
Met Gln Asn Ser
Met Gln Ser Asn
Met Val Asp Asp
C18H30N4O9S (478.17334100000005)
Asn Cys Asp Gln
Asn Cys Glu Asn
Asn Cys Gly Trp
C20H26N6O6S (478.16344560000005)
Asn Cys Asn Glu
Asn Cys Gln Asp
Asn Cys Trp Gly
C20H26N6O6S (478.16344560000005)
Asn Asp Cys Gln
Asn Asp Gln Cys
Asn Glu Cys Asn
Asn Glu Asn Cys
Asn Gly Cys Trp
C20H26N6O6S (478.16344560000005)
Asn Gly Trp Cys
C20H26N6O6S (478.16344560000005)
Asn Asn Cys Glu
Asn Asn Glu Cys
Asn Gln Cys Asp
Asn Gln Asp Cys
Asn Trp Cys Gly
C20H26N6O6S (478.16344560000005)
Asn Trp Gly Cys
C20H26N6O6S (478.16344560000005)
Pro Cys Glu Met
Pro Cys Met Glu
Pro Glu Cys Met
Pro Glu Met Cys
Pro Met Cys Glu
Pro Met Glu Cys
Gln Cys Asp Asn
Gln Cys Asn Asp
Gln Asp Cys Asn
Gln Asp Asn Cys
Gln Asn Cys Asp
Gln Asn Asp Cys
Ser Asp Glu Glu
C17H26N4O12 (478.15471560000003)
Ser Glu Asp Glu
C17H26N4O12 (478.15471560000003)
Ser Glu Glu Asp
C17H26N4O12 (478.15471560000003)
Thr Asp Asp Glu
C17H26N4O12 (478.15471560000003)
Thr Asp Glu Asp
C17H26N4O12 (478.15471560000003)
Thr Glu Asp Asp
C17H26N4O12 (478.15471560000003)
Val Cys Glu Glu
C18H30N4O9S (478.17334100000005)
Val Asp Asp Met
C18H30N4O9S (478.17334100000005)
Val Asp Met Asp
C18H30N4O9S (478.17334100000005)
Val Glu Cys Glu
C18H30N4O9S (478.17334100000005)
Val Glu Glu Cys
C18H30N4O9S (478.17334100000005)
Val Met Asp Asp
C18H30N4O9S (478.17334100000005)
Trp Cys Gly Asn
C20H26N6O6S (478.16344560000005)
Trp Cys Asn Gly
C20H26N6O6S (478.16344560000005)
Trp Gly Cys Asn
C20H26N6O6S (478.16344560000005)
Trp Gly Asn Cys
C20H26N6O6S (478.16344560000005)
Trp Asn Cys Gly
C20H26N6O6S (478.16344560000005)
Trp Asn Gly Cys
C20H26N6O6S (478.16344560000005)
Tyr Cys Gly His
C20H26N6O6S (478.16344560000005)
Tyr Cys His Gly
C20H26N6O6S (478.16344560000005)
Tyr Gly Cys His
C20H26N6O6S (478.16344560000005)
Tyr Gly His Cys
C20H26N6O6S (478.16344560000005)
Tyr His Cys Gly
C20H26N6O6S (478.16344560000005)
Tyr His Gly Cys
C20H26N6O6S (478.16344560000005)
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Kelampayoside A
Isolated from Cinnamomum cassia (Chinese cinnamon). Kelampayoside A is found in chinese cinnamon and herbs and spices.
9,10-Bis(diethylphosphonomethyl)anthracene
C24H32O6P2 (478.16740319999997)
7α-bromo-5,6β-epoxy-15β,16β-methylene-3β-pivaloyloxy-5β-androstan-17-one
C25H35BrO4 (478.17185700000005)
3-((2S,5S)-5-((3R,5R)-3-hydroxy-6-iodo-5-methylhept-6-enyl)-4-methylenetetrahydrofuran-2-yl)propyl pivalate
3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide
O-(((1r)-((N-Phenylmethoxycarbonyl-L-Alanyl)amino)ethyl)hydroxyphosphono)-L-Benzylacetic Acid
Buzepide metiodide
C23H31IN2O (478.14810259999996)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
1-Acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-YL)piperazine
C25H26N4O4S (478.16746760000007)
2-[4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
1,7-Bis(3,4-dihydroxyphenyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-3-one
(2r)-2-[[(1r,2s,3r,4r,5r)-4-Acetamido-2-[(2s,3r,4r,5s,6r)-3-Acetamido-6-(Hydroxymethyl)-4,5-Bis(Oxidanyl)oxan-2-Yl]oxy-6,8-Dioxabicyclo[3.2.1]octan-3-Yl]oxy]propanoic Acid
Calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid
N-(2-Benzyl-4-oxo-3(4H)-quinazolinyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinoline-6-carboxamide
3alpha-Acetoxymaoesin A, (rel)-
A natural product found in Isodon eriocalyx.
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]acetamide
6,7-Dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile
C25H26N4O4S (478.16746760000007)
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C25H26N4O4S (478.16746760000007)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
(1S,9R,10R,11R)-12-(2-fluorobenzoyl)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(1R,9S,10S,11S)-12-(2-fluorobenzoyl)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
4-(5-Methyl-1-phenylpyrazole-4-carbonyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
C25H26N4O4S (478.16746760000007)
(2S,3S,5S)-2-[[2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,5-dimethylphenyl)benzamide
3-[4-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4,6-trimethoxyphenyl)propan-1-one
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,5-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-ethylphenyl)benzamide
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrate;hydrochloride
N2-(Deoxyguanosin-8-yl)-2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline
2-Methoxy-4-[2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-hydroxybenzofuran-2-yl]phenyl beta-D-xylopyranoside
YG1702
YG1702 is a potent ALDH18A1-specific inhibitor. YG1702 attenuates the growth of MYCN-amplified NB and down-regulates MYCN. YG1702 physically interacts with ALDH18A1 with a high affinity and might potentially affect its enzymatic activity[1].
[(2r,3s,4e)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]methyl 4-hydroxybenzoate
(2r,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{2-[(2s)-7-hydroxy-8-(2-hydroxyethyl)-3,4-dihydro-2h-1-benzopyran-2-yl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
methyl (3ar,4s,5r,8r,11ar)-8-hydroxy-10-(hydroxymethyl)-3-methylidene-5-[(2-methylprop-2-enoyl)oxy]-4-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
(1s,5r,7s,7as)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl (2e)-3-phenylprop-2-enoate
1,7-bis(3,4-dihydroxyphenyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-3-one
2,10-bis(acetyloxy)-3-methyl-8,12-dimethylidene-6,13-dioxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradecan-9-yl 2-methylbutanoate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2r)-2-(4-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy]oxane-3,4,5-triol
2-{[2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3s,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-6-[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4-diol
1-{2-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}ethanone
(1r,2s,3r,5r,9r,10r,11r)-2,10-bis(acetyloxy)-3-methyl-8,12-dimethylidene-6,13-dioxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradecan-9-yl (2r)-2-methylbutanoate
(2s,3r,4s,5s,6r)-2-{[(2s)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
8-(acetyloxy)-12-[(acetyloxy)methyl]-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-methylbut-2-enoate
(2r,3r,4s,5s,6s)-2-(hydroxymethyl)-6-[(3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-yl)oxy]oxane-3,4,5-triol
(2s,3s,4s,5s,6s)-2-{[(2r)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2-methyl-6-oxohepta-2,4-dienoate
(2r,3r,4s,5s,6r)-2-{2-[(2s)-7-hydroxy-8-(2-hydroxyethyl)-3,4-dihydro-2h-1-benzopyran-2-yl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,7as)-7-(hydroxymethyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2,4,6-trimethoxyphenyl 1-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN004251","Ingredient_name": "2,4,6-trimethoxyphenyl 1-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H30O13","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-cinnamoylmyoporoside
{"Ingredient_id": "HBIN013689","Ingredient_name": "8-cinnamoylmyoporoside","Alias": "NA","Ingredient_formula": "C24H30O10","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=CC=C4","Ingredient_weight": "478.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101402540","DrugBank_id": "NA"}