Exact Mass: 568.1896
Exact Mass Matches: 568.1896
Found 461 metabolites which its exact mass value is equals to given mass value 568.1896
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
SN38 glucuronide
SN38 glucuronide is a metabolite of irinotecan. Irinotecan is a drug used for the treatment of cancer. Irinotecan prevents DNA from unwinding by inhibition of topoisomerase 1. In chemical terms, it is a semisynthetic analogue of the natural alkaloid camptothecin. Its main use is in colon cancer, in particular, in combination with other chemotherapy agents. This includes the regimen FOLFIRI, which consists of infusional 5-fluorouracil, leucovorin, and irinotecan. Irinotecan received accelerated approval by the U.S. (Wikipedia)
Ceftizoxime alapivoxil
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Citrusin B
Isolated from lemon (Citrus limon) and the round kumquat (Fortunella japonica). Citrusin B is found in lemon, citrus, and fruits. Citrusin B is found in citrus. Citrusin B is isolated from lemon (Citrus limon) and the round kumquat (Fortunella japonica).
cis-Mulberroside A
cis-Mulberroside A is found in fruits. cis-Mulberroside A is a constituent of Morus alba (white mulberry)
Asticolorin C
Asticolorin C is a mycotoxin of Aspergillus multicolo
Phloretin xylosyl-galactoside
Phloretin xylosyl-galactoside is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Piceatannol 3,4'-diglucoside
Piceatannol 3,4-diglucoside is found in green vegetables. Piceatannol 3,4-diglucoside is a constituent of Rheum undulatum (rhubarb). Constituent of Rheum undulatum (rhubarb). Piceatannol 3,4-diglucoside is found in green vegetables.
Azilsartan medoxomil
Ceftizoxime alapivoxil
Mulberroside A
Phloretin-2'-O-(2'-O-xylosylglucoside)
Phloretin-2-o-(2-o-xylosylglucoside) is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Phloretin-2-o-(2-o-xylosylglucoside) is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phloretin-2-o-(2-o-xylosylglucoside) can be found in apple, apricot, and pear, which makes phloretin-2-o-(2-o-xylosylglucoside) a potential biomarker for the consumption of these food products.
Polygalaxanthone
Polygalaxanthone III is a natural product found in Polygala tenuifolia and Polygala sibirica with data available. Polygalaxanthone III is extracted from polygala tenuifolia wild, has inhibitory effect towards CYP450 enzyme. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1 with an IC50 of 50.56 μM[1]. Polygalaxanthone III is extracted from polygala tenuifolia wild, has inhibitory effect towards CYP450 enzyme. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1 with an IC50 of 50.56 μM[1].
polygalaxanthone XI
Polygalaxanthone XI is a natural product found in Polygala tenuifolia with data available. Polygalaxanthone XI, a xanthone glycoside isolated from the cortexes of Polygala tenuifolia, can be used in the study of expectorant, and tranquilizing agent[1]. Polygalaxanthone XI, a xanthone glycoside isolated from the cortexes of Polygala tenuifolia, can be used in the study of expectorant, and tranquilizing agent[1].
Mulberroside_A
Cis-Mulberroside A is a glycoside and a stilbenoid. Mulberroside A is a natural product found in Morus lhou, Schoenocaulon officinale, and other organisms with data available. Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3]. Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3].
Polygalaxanthone
Polygalaxanthone XI is a natural product found in Polygala tenuifolia with data available. Polygalaxanthone XI, a xanthone glycoside isolated from the cortexes of Polygala tenuifolia, can be used in the study of expectorant, and tranquilizing agent[1]. Polygalaxanthone XI, a xanthone glycoside isolated from the cortexes of Polygala tenuifolia, can be used in the study of expectorant, and tranquilizing agent[1].
Orbiculin E
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by acetoxy group at positions 1 and 2, a benzoyloxy group at position 9 and furoyloxy groups at position 6 (the 1beta,2beta,9alpha,6alpha). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.
5,7,3,5-Tetrahydroxy-3,6,8,4-tetramethoxyflavone 3-glucoside
Mulberroside A
Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3]. Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3].
Polygalaxanthone III
Polygalaxanthone III is extracted from polygala tenuifolia wild, has inhibitory effect towards CYP450 enzyme. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1 with an IC50 of 50.56 μM[1]. Polygalaxanthone III is extracted from polygala tenuifolia wild, has inhibitory effect towards CYP450 enzyme. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1 with an IC50 of 50.56 μM[1].
6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one
5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
4-O-acetyl-7-O-beta-L-fucopyranosyldiphyllin|4-O-acetylpatentiflorin B
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside)|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-??-D-glucopyranosyl)-??-D-glucopyranoside
7,8-Dihydroxy-3-methoxy-1-O-primeverosylxanthone|Gentiakochianosid|isogentiakochianoside|swertianine 1-O-primveroside
rel-(1??,2??)-Di-(2,6-dimethoxy-4-hydroxy)-benzoyl-rel-(3??,4??)-diphenylcyclobutane|rel-1alpha,2beta-di-(2,6-dimethoxy-4-hydroxy)benzoyl-(3alpha,4beta)-diphenylcyclobutane
4-hydroxymethyl-2-methoxyphenyl 1-O-beta-D-[5-O-(4-hydroxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
5??,17??-Dihydroxy-6??,7??-epoxy-1-oxo-3??-O-sulfate-witha-24-enolide
(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2-Acetoxy-1,9-dibenzoyloxy-3,4,6-trihydroxy-dihydro-beta-agarofuran
(7R,8S)-erythro-guaiacylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside
4-C-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-1,3,6-trihydroxy-7-methoxyxanthone|polygalaxanthone III
3,4-dimethoxyphenyl 1-O-beta-D-[5-O-(4-hydroxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-Dimethoxyphenyl 1-O-??-D-[5-O-(4-hydroxybenzoyl)]-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside)
(7S,8R)-guaiacylglycerol-8-O-4-sinapyl ether 9-O-beta-D-glucopyranoside
(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-glucopyranosyl-4-O-alpha-D-glucopyranoside
(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-glucopyranosyl-5-O-alpha-D-glucopyranoside
(-)-(7S,8R)-4-hydroxy-3-methoxyphenylglyceryl 9-O-b-D-[6-O-(E)-4-hydroxy-3,5-dimethoxyphenylpropenoyl]glucopyranoside
2?,3?,4?-trihydroxydibenzoyl-4?-O-beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranoside|sophodibenzoside L
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(2-O-beta-D-fructofuranosyl-beta-D-glucopyranoside)
5-methoxy-8-hydroxy-(+)-isolariciresinol-4-O-beta-D-glucopyranoside
1,8-dihydroxy-3-methoxy-7-O-primeveroside|7-O-[beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranosyl]-1,8-dihydroxy-3-methoxyxanthone
4-benzoyl-2-C-beta-D-glucopyranosyl-3,5-dihydroxy-6-methylphenyl beta-D-glucopyranoside
2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-2-hydroxymethyl-2,3-dihydro-7H-1,4-dioxino<2,3-h>chromen-7-one
2-benzoyloxymethyl-4-hydroxyphenyl-1-oxy-O-beta-D-glucopyranosyl-(1->3)-1-O-beta-D-glucopyranoside|symconoside B
2,3-dihydro-3beta-O-sulfate withaferin A|2,3-dihydrowithaferin A 3beta-O-sulfate|2,3-dihydrowithaferin A-3b-O-sulfate|2,3-dihydrowithaferin A-3beta-O-sulfate
(E)-2,3,5,4-tetrahydroxystilbene-2,3-di-O-beta-D-glucoside|2,3,5,4-Tetrahydroxystilbene-2,3-O-??-D-glucoside
Me ester-1-Hydroxy-2-[2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-6H-benzo[h]pyrano[3,4,5-de]-1-benzopyran-2-yl]naphtho[1,2-b]furan-4-carboxylic acid
2-benzoyloxymethyl-4-hydroxyphenyl-1-oxy-O-beta-D-glucopyranosyl-(1->6)-1-O-beta-D-glucopyranoside|symconoside A
5-O-[(5-O-vanilloyl)-beta-apiofuranosyl-(1->2)-beta-xylopyranosyl] gentisic acid|5-O-[(5?-O-vanilloyl)-beta-apiofuranosyl-(1?2)-beta-xylopyranosyl]-gentisic acid
phloretin 2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|phloretin-2-beta-D-xylosyl-(1->6)-beta-D-glucoside
eriobioside|methyl (1S*,4aR*,7S*)-1-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylate
3-O-beta-D-(4-p-cumaryl)-Glukosid von Pterolacton A
(7S*,8R*,7R*,8S*)icariol A2-9-O-beta-xylopyranoside|icariol A2 9-O-beta-D-xylopyranoside
cis-Mulberroside A
beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl is a natural product found in Morus alba with data available.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C26H32O14_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, methyl ester, (1S,4aR,6S,7R,7aS)
C26H32O14_3-{(E)-2-[4-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl beta-D-glucopyranoside
C26H32O14_Methyl 1-(hexopyranosyloxy)-5,6-dihydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
C26H32O14_Naphtho[2,3-c]furan-1(3H)-one, 4-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-methoxy-3-methyl
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one_major
Cys Phe His Tyr
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Phloretin xylosyl-galactoside
Asticolorin C
Citrusin B
Piceatannol 3,4'-diglucoside
eleuthoside B
Azilsartan medoxomil
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers Azilsartan medoxomil (TAK 491) is an orally administered angiotensin II receptor type 1 antagonist with IC50 of 0.62 nM, which used in the treatment of adults with essential hypertension[1][2][3][4].
Formocortal
S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
2-((e)-2-(2-chloro-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-1,3,3-trimethyl-3h-indolium perchlorate
N-(5,10,15,16-tetrahydro-5,10,15-trioxoanthra[2,1,9-mna]naphth[2,3-h]acridin-11-yl)benzamide
9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate
1,1-DIBUTYL-3,3,3,3-TETRAMETHYLINDOCARBOCYANINE IODIDE
Ponatinib hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163790 - Flt-3-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159438 - RET Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-2,2,2-trifluoroacetamide
(R)-4-oxide-2,6-bis[4-(4-methoxyphenyl)--8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin
2,3-dihydro-3beta-O-sulfate withaferin A
A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
1-(2-methoxy-2-methylpropanoyl)oxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Lamiidoside
Descarbamoylnovobiocin(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of descarbamoylnovobiocin.
3-O-phosphono-beta-D-glucosyl-(1->4)-[alpha-L-rhamnosyl-(1->2)]-beta-D-galactose
(2S)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
(2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
(2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
methyl (4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside
ND-646
ND-646 is an orally bioavailable and steric inhibitor of acetyl-CoA carboxylase (ACC) with IC50s of 3.5 nM and 4.1 nM for recombinant hACC1 and hACC2, respectively.
(2s,3r,4r,5s,6r)-2-{4-[(1s,2s)-1,3-dihydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1r,2s,7r,8s,9s)-8-[(2r)-2-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(1s,2r,4s,5r,6r,7s,9r,12s)-4,5-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl furan-3-carboxylate
4-(acetyloxy)-5-(benzoyloxy)-2,3,12-trihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2s,3r,4s,5s,6r)-2-{[2-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid
1,8-dihydroxy-6-methoxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]xanthen-9-one
1,3,6-trihydroxy-7-methoxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]xanthen-9-one
2-{[2-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,7-trihydroxy-6-methoxyxanthen-9-one
methyl 8-[2-(2-hydroxy-5-oxo-2h-furan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
ethyl 2-{4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16(20),22-dien-17-yl}acetate
6-{[9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3h-naphtho[2,3-c]furan-4-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
1,3,6-trihydroxy-7-methoxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]xanthen-9-one
methyl 6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
6,16,24-trihydroxy-8,22-bis(hydroxymethyl)-3,27,29-trimethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaen-17-one
{3,4,5-trihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-9h-xanthen-9-yl]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate
(6-hydroxy-15-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl)oxidanesulfonic acid
methyl 5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(11r,14r,17s)-11-benzyl-4-[(2s)-butan-2-yl]-14-(hydroxymethyl)-17-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
(2s,3s,4s,5s,6r)-6-{[9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3h-naphtho[2,3-c]furan-4-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
methyl 2-(5-hydroxy-2-oxo-5h-furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
(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]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2s,3s,4r,5r,6r,7s,9r,12r)-4-(acetyloxy)-5-(benzoyloxy)-2,3,12-trihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,5,6-trihydroxyxanthen-9-one
methyl 4a,7-dihydroxy-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
1-o-primeverosyl-3,8-dihydroxy-5-methoxy-xanthone
{"Ingredient_id": "HBIN002932","Ingredient_name": "1-o-primeverosyl-3,8-dihydroxy-5-methoxy-xanthone","Alias": "NA","Ingredient_formula": "C25H28O15","Ingredient_Smile": "COC1=C2C(=C(C=C1)O)C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O","Ingredient_weight": "568.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11968853","DrugBank_id": "NA"}
2,3,5,4'-tetrahydroxystilbene-2,3-o-β-d-digluco-side
{"Ingredient_id": "HBIN003903","Ingredient_name": "2,3,5,4'-tetrahydroxystilbene-2,3-o-\u03b2-d-digluco-side","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21143","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-glucoside
{"Ingredient_id": "HBIN003904","Ingredient_name": "2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-glucoside","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32044","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,5,4'-tetrahydroxystilbene-2-o-(6''-o-alpha-d-glucopyranosyl)-beta-d-glucopyranoside
{"Ingredient_id": "HBIN003906","Ingredient_name": "2,3,5,4'-tetrahydroxystilbene-2-o-(6''-o-alpha-d-glucopyranosyl)-beta-d-glucopyranoside","Alias": "2,3,5,4'-tetrahydroxystilbene-2-o-(6''-o-\u03b1-d-glucopyranosyl)-\u03b2-d-glucopyranoside","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32042;21140","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dimethoxyphenyl1-o-β-d-[5-o-(4-hydroxybenzoyl)]-apiofura-nosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN007437","Ingredient_name": "3,4-dimethoxyphenyl1-o-\u03b2-d-[5-o-(4-hydroxybenzoyl)]-apiofura-nosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC=C(C=C4)O)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-O-β-D-glucopyranosyloxybenzoic acid
{"Ingredient_id": "HBIN010748","Ingredient_name": "4-O-\u03b2-D-glucopyranosyloxybenzoic acid","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-O-β-D-glucopyranosyloxybenzoic acid methyl ester
{"Ingredient_id": "HBIN010749","Ingredient_name": "4-O-\u03b2-D-glucopyranosyloxybenzoic acid methyl ester","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α,17α-dihydroxy-6α,7α-epoxy-1-oxo-3β-o-sulfate-witha-24-enolide
{"Ingredient_id": "HBIN011373","Ingredient_name": "5\u03b1,17\u03b1-dihydroxy-6\u03b1,7\u03b1-epoxy-1-oxo-3\u03b2-o-sulfate-witha-24-enolide","Alias": "NA","Ingredient_formula": "C28H40O10S","Ingredient_Smile": "CC1=C(C(=O)OC(C1)C(C)C2(CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)CC(C6)OS(=O)(=O)O)C)O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5878","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-primeverosylbellidifolin
{"Ingredient_id": "HBIN013868","Ingredient_name": "8-o-primeverosylbellidifolin","Alias": "NA","Ingredient_formula": "C25H28O15","Ingredient_Smile": "COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O)O","Ingredient_weight": "568.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17840","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14524491","DrugBank_id": "NA"}
amritoside c
{"Ingredient_id": "HBIN015911","Ingredient_name": "amritoside c","Alias": "NA","Ingredient_formula": "C27H36O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1086","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}