Exact Mass: 450.1474022
Exact Mass Matches: 450.1474022
Found 273 metabolites which its exact mass value is equals to given mass value 450.1474022
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Auriculoside
C22H26O10 (450.15258960000006)
A flavan glycoside that is (2S)-flavan substituted by a methoxy group at position 4, hydroxy groups at positions 7 and 5 and a beta-D-glucopyranosyloxy group at position 3 respectively.
Empagliflozin
C23H27ClO7 (450.14452220000004)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Melleolide L
C23H27ClO7 (450.14452220000004)
Melleolide L is found in mushrooms. Melleolide L is a metabolite of Armillariella mellea (honey mushroom Metabolite of Armillariella mellea (honey mushroom). Melleolide L is found in mushrooms.
4-androsten-3beta,17beta-diol disulfate
4-Androsten-3beta,17beta-diol disulfate, also known as 4-androsten-3β,17β-diol disulfate, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 4-Androsten-3beta,17beta-diol disulfate is considered to be a practically insoluble (in water) and an extremely strong acidic compound. Human plasma levels of 4-androsten-3beta,17beta-diol disulfate were reported to be influenced by genetic variants in the gene SULT2A1 which codes for the enzyme dehydroepiandrosterone sulfotransferase (PMID: 24816252).
Empagliflozin
C23H27ClO7 (450.14452220000004)
Suvorexant
4-Methoxyphlorizin
C22H26O10 (450.15258960000006)
Asebotin
C22H26O10 (450.15258960000006)
6-Chloro-10alpha-hydroxymelleolide
C23H27ClO7 (450.14452220000004)
12beta-hydroxychaetoviridin C
C23H27ClO7 (450.14452220000004)
An azaphilone that is the 12beta-hydroxy derivative of chaetoviridin C. It has been isolated from Chaetomium globosum.
8-desacyl enhydrin-(2,3-epoxyisobutyrate)|8-desacyl enhydrin-<2,3-epoxyisobutyrate>
C22H26O10 (450.15258960000006)
aloesaponol IV 8-O-beta-D-glucoside
C22H26O10 (450.15258960000006)
glochicoccin B|methyl (2S,3aR,4S,4S,5R,6S,7aR)-decahydro-3a,4-dihydroxy-4-[(4-hydroxybenzoyl)oxy]-5-methyl-3-oxo-3H-spiro[1-benzofuran-2,2-pyran]-6-carboxylate
C22H26O10 (450.15258960000006)
2-methoxy-4,6-dihydroxy-alpha-chalcanol-alpha,beta-epoxide-4-O-beta-D-glucopyranoside|trifochalcanoloside I
C22H26O10 (450.15258960000006)
(2-Hydroxymethyl-phenyl)-(O6-veratroyl-beta-D-glucopyranosid)|(2-hydroxymethyl-phenyl)-(O6-veratroyl-beta-D-glucopyranoside)|2-(O6-Veratroyl-beta-D-glucopyranosyloxy)-benzylalkohol|Glycosmin
C22H26O10 (450.15258960000006)
3-oxo-10alphaH-stilpnotomentolide-8-O-(5-hydroxysenecioate)|3-oxo-10alphaH-stilpnotomentolide-8-O-<5-hydroxysenecioate>
C22H26O10 (450.15258960000006)
benzyl 2-beta-O-D-glucopyranosyl-3,6-dimethoxybenzoate
C22H26O10 (450.15258960000006)
2-(4-hydroxyphenyl)ethyl 2-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside E
C22H26O10 (450.15258960000006)
(6aS,7aR,8S,9R,11aR,11bS)-5-chloro-7a-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-6a,8,9-trimethyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3,4:4,5]furo[2,3-h]-2-benzopyran-6,11-dione|4-epichaetomugilin A
C23H27ClO7 (450.14452220000004)
rumexneposide B|torachrysone-8-O-b-D-(60-O-acetyl)glucopyranoside
C22H26O10 (450.15258960000006)
2,4-dihydroxy-4?-methoxy-6?-O-beta-glucopyranoside dihydrochalcone
C22H26O10 (450.15258960000006)
1-(4-hydroxy-2,5-dimethylphenyl)-6-vanilloyl-beta-D-glucopyranose|dunnianoside B
C22H26O10 (450.15258960000006)
8-desacyl enhydrin-(4-hydroxymethacrylate)|8-desacyl enhydrin-<4-hydroxymethacrylate>
C22H26O10 (450.15258960000006)
2-(3,4-dihydroxyphenyl)ethyl 2-O-(4-hydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside B
C22H26O10 (450.15258960000006)
diltiazem hydrochloride
C22H27ClN2O4S (450.1379972000001)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
C22H26O10_[(1S)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
C22H26O10 (450.15258960000006)
C22H26O10_1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)
C22H26O10 (450.15258960000006)
C23H22N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)
[(1S)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
C22H26O10 (450.15258960000006)
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one_major
C22H26O10 (450.15258960000006)
Ala Cys Glu Glu
C16H26N4O9S (450.1420426000001)
Ala Asp Asp Met
C16H26N4O9S (450.1420426000001)
Ala Asp Met Asp
C16H26N4O9S (450.1420426000001)
Ala Glu Cys Glu
C16H26N4O9S (450.1420426000001)
Ala Glu Glu Cys
C16H26N4O9S (450.1420426000001)
Ala Met Asp Asp
C16H26N4O9S (450.1420426000001)
Cys Ala Glu Glu
C16H26N4O9S (450.1420426000001)
Cys Asp Asp Val
C16H26N4O9S (450.1420426000001)
Cys Asp Val Asp
C16H26N4O9S (450.1420426000001)
Cys Glu Ala Glu
C16H26N4O9S (450.1420426000001)
Cys Glu Glu Ala
C16H26N4O9S (450.1420426000001)
Cys Asn Asn Thr
C15H26N6O8S (450.15327560000003)
Cys Asn Gln Ser
C15H26N6O8S (450.15327560000003)
Cys Asn Ser Gln
C15H26N6O8S (450.15327560000003)
Cys Asn Thr Asn
C15H26N6O8S (450.15327560000003)
Cys Gln Asn Ser
C15H26N6O8S (450.15327560000003)
Cys Gln Ser Asn
C15H26N6O8S (450.15327560000003)
Cys Ser Asn Gln
C15H26N6O8S (450.15327560000003)
Cys Ser Gln Asn
C15H26N6O8S (450.15327560000003)
Cys Thr Asn Asn
C15H26N6O8S (450.15327560000003)
Cys Val Asp Asp
C16H26N4O9S (450.1420426000001)
Asp Ala Asp Met
C16H26N4O9S (450.1420426000001)
Asp Ala Met Asp
C16H26N4O9S (450.1420426000001)
Asp Cys Asp Val
C16H26N4O9S (450.1420426000001)
Asp Cys Val Asp
C16H26N4O9S (450.1420426000001)
Asp Asp Ala Met
C16H26N4O9S (450.1420426000001)
Asp Asp Cys Val
C16H26N4O9S (450.1420426000001)
Asp Asp Met Ala
C16H26N4O9S (450.1420426000001)
Asp Asp Val Cys
C16H26N4O9S (450.1420426000001)
Asp Glu Gly Met
C16H26N4O9S (450.1420426000001)
Asp Glu Met Gly
C16H26N4O9S (450.1420426000001)
Asp Gly Glu Met
C16H26N4O9S (450.1420426000001)
Asp Gly Met Glu
C16H26N4O9S (450.1420426000001)
Asp Met Ala Asp
C16H26N4O9S (450.1420426000001)
Asp Met Asp Ala
C16H26N4O9S (450.1420426000001)
Asp Met Glu Gly
C16H26N4O9S (450.1420426000001)
Asp Met Gly Glu
C16H26N4O9S (450.1420426000001)
Asp Val Cys Asp
C16H26N4O9S (450.1420426000001)
Asp Val Asp Cys
C16H26N4O9S (450.1420426000001)
Glu Ala Cys Glu
C16H26N4O9S (450.1420426000001)
Glu Ala Glu Cys
C16H26N4O9S (450.1420426000001)
Glu Cys Ala Glu
C16H26N4O9S (450.1420426000001)
Glu Cys Glu Ala
C16H26N4O9S (450.1420426000001)
Glu Asp Gly Met
C16H26N4O9S (450.1420426000001)
Glu Asp Met Gly
C16H26N4O9S (450.1420426000001)
Glu Glu Ala Cys
C16H26N4O9S (450.1420426000001)
Glu Glu Cys Ala
C16H26N4O9S (450.1420426000001)
Glu Gly Asp Met
C16H26N4O9S (450.1420426000001)
Glu Gly Met Asp
C16H26N4O9S (450.1420426000001)
Glu Met Asp Gly
C16H26N4O9S (450.1420426000001)
Glu Met Gly Asp
C16H26N4O9S (450.1420426000001)
Gly Asp Glu Met
C16H26N4O9S (450.1420426000001)
Gly Asp Met Glu
C16H26N4O9S (450.1420426000001)
Gly Glu Asp Met
C16H26N4O9S (450.1420426000001)
Gly Glu Met Asp
C16H26N4O9S (450.1420426000001)
Gly Met Asp Glu
C16H26N4O9S (450.1420426000001)
Gly Met Glu Asp
C16H26N4O9S (450.1420426000001)
Met Ala Asp Asp
C16H26N4O9S (450.1420426000001)
Met Asp Ala Asp
C16H26N4O9S (450.1420426000001)
Met Asp Asp Ala
C16H26N4O9S (450.1420426000001)
Met Asp Glu Gly
C16H26N4O9S (450.1420426000001)
Met Asp Gly Glu
C16H26N4O9S (450.1420426000001)
Met Glu Asp Gly
C16H26N4O9S (450.1420426000001)
Met Glu Gly Asp
C16H26N4O9S (450.1420426000001)
Met Gly Asp Glu
C16H26N4O9S (450.1420426000001)
Met Gly Glu Asp
C16H26N4O9S (450.1420426000001)
Asn Cys Asn Thr
C15H26N6O8S (450.15327560000003)
Asn Cys Gln Ser
C15H26N6O8S (450.15327560000003)
Asn Cys Ser Gln
C15H26N6O8S (450.15327560000003)
Asn Cys Thr Asn
C15H26N6O8S (450.15327560000003)
Asn Asn Cys Thr
C15H26N6O8S (450.15327560000003)
Asn Asn Thr Cys
C15H26N6O8S (450.15327560000003)
Asn Gln Cys Ser
C15H26N6O8S (450.15327560000003)
Asn Gln Ser Cys
C15H26N6O8S (450.15327560000003)
Asn Ser Cys Gln
C15H26N6O8S (450.15327560000003)
Asn Ser Gln Cys
C15H26N6O8S (450.15327560000003)
Asn Thr Cys Asn
C15H26N6O8S (450.15327560000003)
Asn Thr Asn Cys
C15H26N6O8S (450.15327560000003)
Gln Cys Asn Ser
C15H26N6O8S (450.15327560000003)
Gln Cys Ser Asn
C15H26N6O8S (450.15327560000003)
Gln Asn Cys Ser
C15H26N6O8S (450.15327560000003)
Gln Asn Ser Cys
C15H26N6O8S (450.15327560000003)
Gln Ser Cys Asn
C15H26N6O8S (450.15327560000003)
Gln Ser Asn Cys
C15H26N6O8S (450.15327560000003)
Ser Cys Asn Gln
C15H26N6O8S (450.15327560000003)
Ser Cys Gln Asn
C15H26N6O8S (450.15327560000003)
Ser Asn Cys Gln
C15H26N6O8S (450.15327560000003)
Ser Asn Gln Cys
C15H26N6O8S (450.15327560000003)
Ser Gln Cys Asn
C15H26N6O8S (450.15327560000003)
Ser Gln Asn Cys
C15H26N6O8S (450.15327560000003)
Thr Cys Asn Asn
C15H26N6O8S (450.15327560000003)
Thr Asn Cys Asn
C15H26N6O8S (450.15327560000003)
Thr Asn Asn Cys
C15H26N6O8S (450.15327560000003)
Val Cys Asp Asp
C16H26N4O9S (450.1420426000001)
Val Asp Cys Asp
C16H26N4O9S (450.1420426000001)
Val Asp Asp Cys
C16H26N4O9S (450.1420426000001)
Melleolide L
C23H27ClO7 (450.14452220000004)
((1S)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl benzoate
C22H26O10 (450.15258960000006)
D-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt
C20H21N5NaO6 (450.13894660000005)
(2R-trans)-DiltiazeM Hydrochloride
C22H27ClN2O4S (450.1379972000001)
dimethyl benzene-1,3-dicarboxylate,2,3-dimethylterephthalic acid,ethane-1,2-diol
C22H26O10 (450.15258960000006)
TRANS-4-(4-(DIBUTYLAMINO)STYRYL)-1-METH&
C22H31IN2 (450.15318759999997)
Suvorexant
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist D018377 - Neurotransmitter Agents > D000068796 - Orexin Receptor Antagonists N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
2-iodo-2,4,6-triisopropyl-3-methoxy-6-methyl-1,1-biphenyl
(R)-(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
Nemorexant
C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist
Iclaprim mesylate
C20H26N4O6S (450.15729760000005)
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
Ternstroside B
C22H26O10 (450.15258960000006)
A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(4-hydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
Ternstroside E
C22H26O10 (450.15258960000006)
A beta-D-glucoside with 2-(4-hydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
chaetomugilin A
C23H27ClO7 (450.14452220000004)
An azaphilone isolated from Chaetomium globosum and has been shown to exhibit inhibitory activity against the brine shrimp (Artemia salina) and Mucor miehei.
CGS-12066A maleate
C21H21F3N4O4 (450.15148220000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
(5r,6s,8s)-8-[3-(Aminomethyl)phenyl]-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide
C21H27N2O7P (450.15558020000003)
1-[2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-1-propanone
C22H26O10 (450.15258960000006)
2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
Asebotoside
C22H26O10 (450.15258960000006)
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
[1-(2-Adamantylamino)-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate
C21H26N2O7S (450.14606460000005)
5-chloro-7a-hydroxy-3-[(1E)-4-hydroxy-3-methylpent-1-en-1-yl]-6a,8,9-trimethyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3,4:4,5]furo[2,3-h][2]benzopyran-6,11-dione
C23H27ClO7 (450.14452220000004)
N-[1,4-dioxo-3-(3-pentyl-1-imidazol-3-iumyl)-2-naphthalenyl]benzenesulfonamide
C24H24N3O4S+ (450.14874440000006)
(2S)-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]-2-azaniumylhexanoate
lysidine monophosphate(1-)
An organophosphate oxoanion that is CMP(2-) in which the 2-keto group on the cytosine ring is substituted by an epsilon-L-lysyl residue. Major structure at pH 7.3 (according to Marvin v. 6.2.0).
Chaetoviridin D
C23H27ClO7 (450.14452220000004)
An organic heterotetracyclic compound with formula C23H27ClO7 isolated from Chaetomium globosum. It is a diastereoisomer of chaetomugilin A (which has a significantly different optical rotation).
[(2r,3s,4s,5r,6r)-6-[(2s,3s)-2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
C22H26O10 (450.15258960000006)
[(1s,4ar,5s,7as)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl benzoate
C22H26O10 (450.15258960000006)
benzyl 3,6-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
C22H26O10 (450.15258960000006)
4,9-dihydroxy-2-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-anthracen-1-one
C22H26O10 (450.15258960000006)
(2r,2as,4ar,7r,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
C23H27ClO7 (450.14452220000004)
1-(2-hydroxy-4-methoxy-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
2-hydroxy-6-[2-(4-methoxyphenyl)ethyl]-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
C22H26O10 (450.15258960000006)
2,2',3,3',4,4'-Tetramethoxy-6,6'-biphenyldicarboxylic acid, dimethyl ester
C22H26O10 (450.15258960000006)
{"Ingredient_id": "HBIN003634","Ingredient_name": "2,2',3,3',4,4'-Tetramethoxy-6,6'-biphenyldicarboxylic acid, dimethyl ester","Alias": "2-(6-carbomethoxy-2,3,4-trimethoxy-phenyl)-3,4,5-trimethoxy-benzoic acid methyl ester; AIDS-070883; AIDS070883; 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)benzoic acid methyl ester; methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)benzoate; methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)benzoate","Ingredient_formula": "C22H26O10","Ingredient_Smile": "COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C(=C(C=C2C(=O)OC)OC)OC)OC)OC)OC","Ingredient_weight": "450.4 g/mol","OB_score": "22.90498438","CAS_id": "NA","SymMap_id": "SMIT10278","TCMID_id": "NA","TCMSP_id": "MOL009100","TCM_ID_id": "NA","PubChem_id": "471114","DrugBank_id": "NA"}
benzyl 2β-o-d-glucopyranosyl-3,6-dimethoxy-benzoate
C22H26O10 (450.15258960000006)
{"Ingredient_id": "HBIN017836","Ingredient_name": "benzyl 2\u03b2-o-d-glucopyranosyl-3,6-dimethoxy-benzoate","Alias": "NA","Ingredient_formula": "C22H26O10","Ingredient_Smile": "COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-chloro-9-(3-hydroxy-2-methylbutanoyl)-3-(4-hydroxy-3-methylpent-1-en-1-yl)-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
C23H27ClO7 (450.14452220000004)
5-(3-hydroxy-4-{3-[hydroxy(phenyl)methyl]oxiran-2-yl}-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-2,3,4-triol
C22H26O10 (450.15258960000006)
12-[(acetyloxy)methyl]-4,8-dimethyl-5,7,13-trioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 4-hydroxy-3-methylbut-2-enoate
C22H26O10 (450.15258960000006)
3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
C23H27ClO7 (450.14452220000004)
(2s,3r,4s,5s,6r)-2-{3-hydroxy-4-[(2s,3s)-3-[(s)-hydroxy(phenyl)methyl]oxiran-2-yl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C22H26O10 (450.15258960000006)
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
C22H26O10 (450.15258960000006)
(r)-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[(2r,3r,4r,5r)-5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
(1s,2s,9s,10r,14r,15s)-7-chloro-2,9-dihydroxy-9,14,15-trimethyl-4-[(1e,3s)-3-methylpent-1-en-1-yl]-3,13,17-trioxatetracyclo[8.7.0.0¹,⁶.0¹¹,¹⁶]heptadeca-4,6,11(16)-triene-8,12-dione
C23H27ClO7 (450.14452220000004)
(1s,2r,4s,8s,10s)-12-[(acetyloxy)methyl]-4,8-dimethyl-5,7,13-trioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl (2z)-4-hydroxy-3-methylbut-2-enoate
C22H26O10 (450.15258960000006)
7-chloro-2,9-dihydroxy-9,14,15-trimethyl-4-(3-methylpent-1-en-1-yl)-3,13,17-trioxatetracyclo[8.7.0.0¹,⁶.0¹¹,¹⁶]heptadeca-4,6,11(16)-triene-8,12-dione
C23H27ClO7 (450.14452220000004)
2-[3-hydroxy-5-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C22H26O10 (450.15258960000006)
[(1s)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl benzoate
C22H26O10 (450.15258960000006)
[(1s,4ar,7as)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
C22H26O10 (450.15258960000006)
(1s,10s,12r,13r,14r,17r)-8-chloro-12-hydroxy-5-[(1e,3s,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
C23H27ClO7 (450.14452220000004)
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxybenzoate
C22H26O10 (450.15258960000006)
(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl)methyl 4-hydroxybenzoate
C22H26O10 (450.15258960000006)
(1s,10s,12r,13r,14r,17r)-8-chloro-12-hydroxy-5-[(1e)-3-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
C23H27ClO7 (450.14452220000004)
(2r,3r,4s,5s,6r)-2-{3-hydroxy-5-[(2s)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C22H26O10 (450.15258960000006)
(2s,4r)-4,9-dihydroxy-2-methoxy-6-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-anthracen-1-one
C22H26O10 (450.15258960000006)
(3s)-9-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-7-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
C22H26O10 (450.15258960000006)
{3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl}methyl 2-(4-hydroxyphenyl)acetate
C22H26O10 (450.15258960000006)
8,9-dihydroxy-2-methoxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-anthracen-1-one
C22H26O10 (450.15258960000006)
[(1s,4as,5r,7as)-5-hydroxy-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl benzoate
C22H26O10 (450.15258960000006)
(2r,2as,4as,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
C23H27ClO7 (450.14452220000004)
8-chloro-12-hydroxy-5-(3-hydroxy-3-methylpent-1-en-1-yl)-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
C23H27ClO7 (450.14452220000004)
1-{2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl}-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
5-methoxy-8,8-dimethyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pyrano[2,3-f]chromen-4-one
C22H26O10 (450.15258960000006)
1-(2-hydroxy-4-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
5-methoxy-8,8-dimethyl-2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pyrano[2,3-f]chromen-4-one
C22H26O10 (450.15258960000006)
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5,8-dihydroxy-2,3-dimethyl-2h,3h-naphtho[2,3-b]pyran-4-one
C22H26O10 (450.15258960000006)
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl)methyl benzoate
C22H26O10 (450.15258960000006)
(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxybenzoate
C22H26O10 (450.15258960000006)
(2r,3r,4r,5s,6r)-5-{3-hydroxy-4-[(2s,3s)-3-[(s)-hydroxy(phenyl)methyl]oxiran-2-yl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxane-2,3,4-triol
C22H26O10 (450.15258960000006)
(2s,3s)-6-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5,8-dihydroxy-2,3-dimethyl-2h,3h-naphtho[2,3-b]pyran-4-one
C22H26O10 (450.15258960000006)
[(2r,3s,4s,5r,6s)-6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
C22H26O10 (450.15258960000006)
(2r,2as,4ar,7ar,7br)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
C23H27ClO7 (450.14452220000004)
8-chloro-12-hydroxy-5-(4-hydroxy-3-methylpent-1-en-1-yl)-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
C23H27ClO7 (450.14452220000004)
(s)-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[(2r,3r,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid
1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-methoxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
benzyl 3,6-dimethoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
C22H26O10 (450.15258960000006)
(2r,2as,4as,7r,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
C23H27ClO7 (450.14452220000004)
9-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-7-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
C22H26O10 (450.15258960000006)
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl benzoate
C22H26O10 (450.15258960000006)
(1s,10s,12r,13s,14r,17r)-8-chloro-12-hydroxy-5-[(1e,3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
C23H27ClO7 (450.14452220000004)
{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid
2-(3-hydroxy-4-{3-[hydroxy(phenyl)methyl]oxiran-2-yl}-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
C22H26O10 (450.15258960000006)
4,5-dihydroxy-2-{[5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl benzoate
C22H26O10 (450.15258960000006)
(6as,9r,9as)-5-chloro-9-[(2s,3s)-3-hydroxy-2-methylbutanoyl]-3-[(3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
C23H27ClO7 (450.14452220000004)
(2r)-1-{2,4-dihydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl}-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
(2s,4s)-8,9-dihydroxy-2-methoxy-6-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-anthracen-1-one
C22H26O10 (450.15258960000006)
1-(2,4-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-methoxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)
(6as,9r,9as)-5-chloro-9-[(2r,3r)-3-hydroxy-2-methylbutanoyl]-3-[(1e,3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
C23H27ClO7 (450.14452220000004)
1-(2-hydroxy-4-methoxy-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
C22H26O10 (450.15258960000006)