Exact Mass: 568.1693
Exact Mass Matches: 568.1693
Found 431 metabolites which its exact mass value is equals to given mass value 568.1693
,
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)
Neobignonoside
Constituent of Vitex agnus-castus (agnus castus). Neobignonoside is found in herbs and spices and fruits. Neobignonoside is found in fruits. Neobignonoside is a constituent of Vitex agnus-castus (agnus castus).
Asticolorin C
Asticolorin C is a mycotoxin of Aspergillus multicolo
Chrysophanol 8-(6-galloylglucoside)
Chrysophanol 8-(6-galloylglucoside) is found in green vegetables. Chrysophanol 8-(6-galloylglucoside) is a constituent of the rhizomes of Rheum undulatum (rhubarb). Constituent of the rhizomes of Rheum undulatum (rhubarb). Chrysophanol 8-(6-galloylglucoside) is found in green vegetables.
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].
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].
2-O-p-Hydroxybenzoylorientin
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
(2S)-2,3-dihydro-6-methylbilobetin|2,3-dihydro-6-methylbilobetin
2,3-Dihydroisoginkgetin
2,3-dihydro-4,4-di-O-methylamentoflavone is a biflavonoid that is 2,3-dihydroamentoflavone in which the hydroxy groups at positions 4 and 4 have been replac ed by methoxy groups. It has been isolated from the leaves of Podocarpus macrophyllus var macrophyllus. It has a role as a plant metabolite. It is a biflavonoid, a hydroxyflavone, a hydroxyflavanone, a methoxyflavanone and a methoxyflavone. It is functionally related to an amentoflavone. 2,3-Dihydroisoginkgetin is a natural product found in Cycas circinalis and Podocarpus macrophyllus with data available. A biflavonoid that is 2,3-dihydroamentoflavone in which the hydroxy groups at positions 4 and 4 have been replac ed by methoxy groups. It has been isolated from the leaves of Podocarpus macrophyllus var macrophyllus.
kaempferol 3-O-beta-D-(6-p-hydroxybenzoyl)-galactopyranoside
quercetin 3-O-(6-O-benzoyl)-beta-D-galactopyranoside|quercetin 3-O-(6-O-benzoyl-beta-D-galactopyranoside)|quercetin-3-benzoylgalactoside|quercetin-3-O-(6-benzoyl)-beta-galactoside
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
2,3-dihydroisoginkgetin|5,5,7,7-tetrahydroxy-4,4-dimethoxy-flavone-(3->8)-flavanone
(7R,8S)-erythro-guaiacylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside
8,16-Dihydroxy-3,11-dipropyl-3,4,11,12-tetrahydro-pyrano[4,3-h]pyrano[4,3;5,6]xantheno[2,1,9,8-klmna]xanthen-1,7,9,15-tetraon|8,16-dihydroxy-3,11-dipropyl-3,4,11,12-tetrahydro-pyrano[4,3-h]pyrano[4,3;5,6]xantheno[2,1,9,8-klmna]xanthene-1,7,9,15-tetraone|xylindein
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
6-methylflavone-5,7,4-triol-(3->O->4)-6-methylflavone-5,7-diol
(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
(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
6,6a-Dihydro-6a-methyl-2,10-diacetylspiro[4,7-dioxa-5H-benz[de]anthracene-5,6-[6H]dibenzo[b,d]pyran]-1,1,7,10,11-pentol
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
2-(2-O-trans-coumaroyl)-C-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxyxanthone
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
(2S)-2,3-dihydro-6-methylsequoiaflavone|2,3-dihydro-6-methylsequoiaflavone
(7S*,8R*,7R*,8S*)icariol A2-9-O-beta-xylopyranoside|icariol A2 9-O-beta-D-xylopyranoside
taiwanhomoflavone-B
A biflavonoid isolated from Cephalotaxus wilsoniana and has been shown to exhibit antineoplastic activity.
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.
CID 46840955
[(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
Cys Phe Asn Trp
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Cys His Phe Tyr
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Cys Tyr His Phe
Glu Glu Glu Tyr
Glu Glu Tyr Glu
Glu Tyr Glu Glu
Phe Cys His Tyr
Phe Cys Asn Trp
Phe Cys Trp Asn
Phe Cys Tyr His
Phe His Cys Tyr
Phe His Tyr Cys
Phe Asn Cys Trp
Phe Asn Trp Cys
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Phe Trp Asn Cys
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Phe Tyr His Cys
His Cys Phe Tyr
His Cys Tyr Phe
His Phe Cys Tyr
His Phe Tyr Cys
His Tyr Cys Phe
His Tyr Phe Cys
Asn Cys Phe Trp
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Asn Phe Cys Trp
Asn Phe Trp Cys
Asn Trp Cys Phe
Asn Trp Phe Cys
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Trp Cys Asn Phe
Trp Phe Cys Asn
Trp Phe Asn Cys
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Tyr Cys Phe His
Tyr Cys His Phe
Tyr Glu Glu Glu
Tyr Phe Cys His
Tyr Phe His Cys
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Phloretin xylosyl-galactoside
Asticolorin C
Neobignonoside
Chrysophanol 8-(6-galloylglucoside)
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].
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
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
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.
1-(4-chlorophenyl)sulfonyl-N-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-piperidinecarbohydrazide
3-O-phosphono-beta-D-glucosyl-(1->4)-[alpha-L-rhamnosyl-(1->2)]-beta-D-galactose
(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
(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
alpha-L-Fucp-(1->2)-beta-D-Galp6S-(1->4)-beta-D-Glcp
beta-D-Galp3S-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-Glcp
beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-Glcp6S
[(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
aurasperone A(2-)
A phenolate anion that is the conjugate base of aurasperone A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5. It is the major microspecies at pH 7.3.
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.
5-hydroxy-8-{2-hydroxy-5-[(2r)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl}-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
(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
(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
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
5-hydroxy-8-{2-hydroxy-5-[(2s)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl}-2-(4-hydroxyphenyl)-7-methoxychromen-4-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
(2r,3r,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-4-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
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
[(2r,3r,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
(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
6-[4-(5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
(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
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"}
2''-o-p-hydroxybenzoylorientin
{"Ingredient_id": "HBIN006262","Ingredient_name": "2''-o-p-hydroxybenzoylorientin","Alias": "NA","Ingredient_formula": "C28H24O13","Ingredient_Smile": "C1=CC(=CC=C1C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O","Ingredient_weight": "568.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44257953","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"}
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"}