Exact Mass: 498.21865460000004
Exact Mass Matches: 498.21865460000004
Found 355 metabolites which its exact mass value is equals to given mass value 498.21865460000004
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
N2-Maltulosylarginine
N2-Maltulosylarginine is found in tea. N2-Maltulosylarginine is a constituent of Korean red ginseng. Constituent of Korean red ginseng. N2-Maltulosylarginine is found in tea.
Apitolisib
Masitinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, PDB, Protein Data Bank C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tyr-Gly-Gly-Phe-Gly-NH2
Tigloylgomisin O
Tigloylgomisin O is a natural product found in Schisandra sphenanthera with data available. See also: Schisandra chinensis fruit (part of).
Mallotophilippen A
A chromenol that is 2H-chromene-5,7-diol substituted by geminal methyl groups at position 2, a 2-methylbutanoyl group at position 8 and a 2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)benzyl group at position 6. Isolated from Mallotus philippensis, it exhibits anti-inflammatory activity.
1,2-Dihydro-5,9,10-trihydroxy-7-(3-hydroxy-3-methylbutyl)-2-(1-hydroxy-1-methylethyl)-8-(3-methyl-2-butenyl)-6H-furo[2,3-c]xanthen-6-one
1-(3-Furyl)-4b,7,7,9b,11a-pentamethyl-3,8-dioxohexadecahydrooxireno[2,3-d]oxireno[2,3:7,8]naphtho[2,1-f]isochromen-5-yl acetate #
(5R)-5-[(1S,2S,3R,4R)-3-[(4E)-hex-4-enoyl]-6-[(2E,4E)-hexa-2,4-dienoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxobicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one
Drummondin F
A benzenetriol that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis.
5,9,10-trihydroxy-7-(3-hydroxy-3-methylbutyl)-2-(1-hydroxy-1-methylethyl)-8-(3-methylbut-2-en-1-yl)-1,2-dihydro-6H-furo[2,3-c]xanthen-6-one
7alpha-acetylobacunol|7alpha-obacunyl acetate|proceranone
15-keto Fluprostenol isopropyl ester
C26H33F3O6 (498.22291140000004)
6-Acetylnimbandiol
6-acetylnimbandiol is a limonoid found in Azadirachta indica. It has a role as a plant metabolite. It is an acetate ester, a cyclic terpene ketone, an enone, a member of furans, a limonoid, a tetracyclic triterpenoid and a methyl ester. 6-Acetylnimbandiol is a natural product found in Azadirachta indica with data available. A limonoid found in Azadirachta indica.
2USP2X4F50
Angeloylgomisin O is a natural product found in Schisandra chinensis with data available. See also: Schisandra chinensis fruit (part of).
Heteroclitin C
Deacetylnimbin
6-deacetylnimbin is a limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica. It has a role as a plant metabolite, an antifeedant and an insect growth regulator. It is a cyclic terpene ketone, an enone, a member of furans, a limonoid, a tetracyclic triterpenoid, a methyl ester and a diester. It is functionally related to a nimbin. 6-Deacetylnimbin is a natural product found in Azadirachta indica and Aristolochia indica with data available. A limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica.
C28H34O8_Methyl (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-2-(3-furyl)-5-hydroxy-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate
C28H34O8_(2E,4E)-1-{(1R,3S,7S,8R,10S)-12-[(4E)-4-Hexenoyl]-1,6,8,13-tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.0~3,8~.0~4,14~.0~7,11~]tetradeca-5,12-dien-5-yl}-2,4-hexadien-1-one
C28H34O8_2(5H)-Furanone, 5-[(1S,2S,3R,4R,7S)-5,7-dihydroxy-4,7-dimethyl-8-oxo-6-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-3-[(4E)-1-oxo-4-hexen-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-, (5R)
(5R)-5-[(1S,2S,3R,4R)-3-[(4E)-hex-4-enoyl]-6-[(2E,4E)-hexa-2,4-dienoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxobicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one_major
Ala Asp Phe Phe
Ala Phe Asp Phe
Ala Phe Phe Asp
Cys Ile Thr Tyr
C22H34N4O7S (498.21480940000004)
Cys Ile Tyr Thr
C22H34N4O7S (498.21480940000004)
Cys Leu Thr Tyr
C22H34N4O7S (498.21480940000004)
Cys Leu Tyr Thr
C22H34N4O7S (498.21480940000004)
Cys Thr Ile Tyr
C22H34N4O7S (498.21480940000004)
Cys Thr Leu Tyr
C22H34N4O7S (498.21480940000004)
Cys Thr Tyr Ile
C22H34N4O7S (498.21480940000004)
Cys Thr Tyr Leu
C22H34N4O7S (498.21480940000004)
Cys Tyr Ile Thr
C22H34N4O7S (498.21480940000004)
Cys Tyr Leu Thr
C22H34N4O7S (498.21480940000004)
Cys Tyr Thr Ile
C22H34N4O7S (498.21480940000004)
Cys Tyr Thr Leu
C22H34N4O7S (498.21480940000004)
Asp Ala Phe Phe
Asp Phe Ala Phe
Asp Phe Phe Ala
Glu Phe Phe Gly
Glu Phe Gly Phe
Glu Gly Phe Phe
Phe Ala Asp Phe
Phe Ala Phe Asp
Phe Asp Ala Phe
Phe Asp Phe Ala
Phe Glu Phe Gly
Phe Glu Gly Phe
Phe Phe Ala Asp
Phe Phe Asp Ala
Phe Phe Glu Gly
Phe Phe Gly Glu
Phe Gly Glu Phe
Phe Gly Phe Glu
Phe Met Thr Thr
C22H34N4O7S (498.21480940000004)
Phe Thr Met Thr
C22H34N4O7S (498.21480940000004)
Phe Thr Thr Met
C22H34N4O7S (498.21480940000004)
Gly Glu Phe Phe
Gly Phe Glu Phe
Gly Phe Phe Glu
Gly Pro Tyr Tyr
Gly Tyr Pro Tyr
Gly Tyr Tyr Pro
His Asn Gln Thr
C19H30N8O8 (498.21864999999997)
His Asn Thr Gln
C19H30N8O8 (498.21864999999997)
His Gln Asn Thr
C19H30N8O8 (498.21864999999997)
His Gln Gln Ser
C19H30N8O8 (498.21864999999997)
His Gln Ser Gln
C19H30N8O8 (498.21864999999997)
His Gln Thr Asn
C19H30N8O8 (498.21864999999997)
His Ser Gln Gln
C19H30N8O8 (498.21864999999997)
His Thr Asn Gln
C19H30N8O8 (498.21864999999997)
His Thr Gln Asn
C19H30N8O8 (498.21864999999997)
Ile Cys Thr Tyr
C22H34N4O7S (498.21480940000004)
Ile Cys Tyr Thr
C22H34N4O7S (498.21480940000004)
Ile Thr Cys Tyr
C22H34N4O7S (498.21480940000004)
Ile Thr Tyr Cys
C22H34N4O7S (498.21480940000004)
Ile Tyr Cys Thr
C22H34N4O7S (498.21480940000004)
Ile Tyr Thr Cys
C22H34N4O7S (498.21480940000004)
Leu Cys Thr Tyr
C22H34N4O7S (498.21480940000004)
Leu Cys Tyr Thr
C22H34N4O7S (498.21480940000004)
Leu Thr Cys Tyr
C22H34N4O7S (498.21480940000004)
Leu Thr Tyr Cys
C22H34N4O7S (498.21480940000004)
Leu Tyr Cys Thr
C22H34N4O7S (498.21480940000004)
Leu Tyr Thr Cys
C22H34N4O7S (498.21480940000004)
Met Phe Thr Thr
C22H34N4O7S (498.21480940000004)
Met Ser Val Tyr
C22H34N4O7S (498.21480940000004)
Met Ser Tyr Val
C22H34N4O7S (498.21480940000004)
Met Thr Phe Thr
C22H34N4O7S (498.21480940000004)
Met Thr Thr Phe
C22H34N4O7S (498.21480940000004)
Met Val Ser Tyr
C22H34N4O7S (498.21480940000004)
Met Val Tyr Ser
C22H34N4O7S (498.21480940000004)
Met Tyr Ser Val
C22H34N4O7S (498.21480940000004)
Met Tyr Val Ser
C22H34N4O7S (498.21480940000004)
Asn His Gln Thr
C19H30N8O8 (498.21864999999997)
Asn His Thr Gln
C19H30N8O8 (498.21864999999997)
Asn Gln His Thr
C19H30N8O8 (498.21864999999997)
Asn Gln Thr His
C19H30N8O8 (498.21864999999997)
Asn Thr His Gln
C19H30N8O8 (498.21864999999997)
Asn Thr Gln His
C19H30N8O8 (498.21864999999997)
Pro Gly Tyr Tyr
Pro Tyr Gly Tyr
Pro Tyr Tyr Gly
Gln His Asn Thr
C19H30N8O8 (498.21864999999997)
Gln His Gln Ser
C19H30N8O8 (498.21864999999997)
Gln His Ser Gln
C19H30N8O8 (498.21864999999997)
Gln His Thr Asn
C19H30N8O8 (498.21864999999997)
Gln Asn His Thr
C19H30N8O8 (498.21864999999997)
Gln Asn Thr His
C19H30N8O8 (498.21864999999997)
Gln Gln His Ser
C19H30N8O8 (498.21864999999997)
Gln Gln Ser His
C19H30N8O8 (498.21864999999997)
Gln Ser His Gln
C19H30N8O8 (498.21864999999997)
Gln Ser Gln His
C19H30N8O8 (498.21864999999997)
Gln Thr His Asn
C19H30N8O8 (498.21864999999997)
Gln Thr Asn His
C19H30N8O8 (498.21864999999997)
Ser His Gln Gln
C19H30N8O8 (498.21864999999997)
Ser Met Val Tyr
C22H34N4O7S (498.21480940000004)
Ser Met Tyr Val
C22H34N4O7S (498.21480940000004)
Ser Gln His Gln
C19H30N8O8 (498.21864999999997)
Ser Gln Gln His
C19H30N8O8 (498.21864999999997)
Ser Val Met Tyr
C22H34N4O7S (498.21480940000004)
Ser Val Tyr Met
C22H34N4O7S (498.21480940000004)
Ser Tyr Met Val
C22H34N4O7S (498.21480940000004)
Ser Tyr Val Met
C22H34N4O7S (498.21480940000004)
Thr Cys Ile Tyr
C22H34N4O7S (498.21480940000004)
Thr Cys Leu Tyr
C22H34N4O7S (498.21480940000004)
Thr Cys Tyr Ile
C22H34N4O7S (498.21480940000004)
Thr Cys Tyr Leu
C22H34N4O7S (498.21480940000004)
Thr Phe Met Thr
C22H34N4O7S (498.21480940000004)
Thr Phe Thr Met
C22H34N4O7S (498.21480940000004)
Thr His Asn Gln
C19H30N8O8 (498.21864999999997)
Thr His Gln Asn
C19H30N8O8 (498.21864999999997)
Thr Ile Cys Tyr
C22H34N4O7S (498.21480940000004)
Thr Ile Tyr Cys
C22H34N4O7S (498.21480940000004)
Thr Leu Cys Tyr
C22H34N4O7S (498.21480940000004)
Thr Leu Tyr Cys
C22H34N4O7S (498.21480940000004)
Thr Met Phe Thr
C22H34N4O7S (498.21480940000004)
Thr Met Thr Phe
C22H34N4O7S (498.21480940000004)
Thr Asn His Gln
C19H30N8O8 (498.21864999999997)
Thr Asn Gln His
C19H30N8O8 (498.21864999999997)
Thr Gln His Asn
C19H30N8O8 (498.21864999999997)
Thr Gln Asn His
C19H30N8O8 (498.21864999999997)
Thr Thr Phe Met
C22H34N4O7S (498.21480940000004)
Thr Thr Met Phe
C22H34N4O7S (498.21480940000004)
Thr Tyr Cys Ile
C22H34N4O7S (498.21480940000004)
Thr Tyr Cys Leu
C22H34N4O7S (498.21480940000004)
Thr Tyr Ile Cys
C22H34N4O7S (498.21480940000004)
Thr Tyr Leu Cys
C22H34N4O7S (498.21480940000004)
Val Met Ser Tyr
C22H34N4O7S (498.21480940000004)
Val Met Tyr Ser
C22H34N4O7S (498.21480940000004)
Val Ser Met Tyr
C22H34N4O7S (498.21480940000004)
Val Ser Tyr Met
C22H34N4O7S (498.21480940000004)
Val Tyr Met Ser
C22H34N4O7S (498.21480940000004)
Val Tyr Ser Met
C22H34N4O7S (498.21480940000004)
Tyr Cys Ile Thr
C22H34N4O7S (498.21480940000004)
Tyr Cys Leu Thr
C22H34N4O7S (498.21480940000004)
Tyr Cys Thr Ile
C22H34N4O7S (498.21480940000004)
Tyr Cys Thr Leu
C22H34N4O7S (498.21480940000004)
Tyr Gly Pro Tyr
Tyr Gly Tyr Pro
Tyr Ile Cys Thr
C22H34N4O7S (498.21480940000004)
Tyr Ile Thr Cys
C22H34N4O7S (498.21480940000004)
Tyr Leu Cys Thr
C22H34N4O7S (498.21480940000004)
Tyr Leu Thr Cys
C22H34N4O7S (498.21480940000004)
Tyr Met Ser Val
C22H34N4O7S (498.21480940000004)
Tyr Met Val Ser
C22H34N4O7S (498.21480940000004)
Tyr Pro Gly Tyr
Tyr Pro Tyr Gly
Tyr Ser Met Val
C22H34N4O7S (498.21480940000004)
Tyr Ser Val Met
C22H34N4O7S (498.21480940000004)
Tyr Thr Cys Ile
C22H34N4O7S (498.21480940000004)
Tyr Thr Cys Leu
C22H34N4O7S (498.21480940000004)
Tyr Thr Ile Cys
C22H34N4O7S (498.21480940000004)
Tyr Thr Leu Cys
C22H34N4O7S (498.21480940000004)
Tyr Val Met Ser
C22H34N4O7S (498.21480940000004)
Tyr Val Ser Met
C22H34N4O7S (498.21480940000004)
Tyr Tyr Gly Pro
Tyr Tyr Pro Gly
9-keto Fluprostenol isopropyl ester
C26H33F3O6 (498.22291140000004)
UK II
Dihydrotrichotetronine
N-(2-Diethylaminoethyl)-α,2-dimethyl-1,3-benzodioxole-2-acetamide
C23H34N2O10 (498.22133440000005)
Apitolisib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Apitolisib (GDC-0980; GNE 390; RG 7422) is a selective, potent, orally bioavailable Class I PI3 kinase and mTOR kinase (TORC1/2) inhibitor with IC50s of 5 nM/27 nM/7 nM/14 nM for PI3Kα/PI3Kβ/PI3Kδ/PI3Kγ, and with a?Ki?of 17 nM for mTOR. Apitolisib (GDC-0980; GNE 390; RG 7422) is a selective, potent, orally bioavailable Class I PI3 kinase and mTOR kinase (TORC1/2) inhibitor with IC50s of 5 nM/27 nM/7 nM/14 nM for PI3Kα/PI3Kβ/PI3Kδ/PI3Kγ, and with a?Ki?of 17 nM for mTOR.
4-[[5,7-dihydroxy-2,2-dimethyl-8-(2-methylpropanoyl)chromen-6-yl]methy l]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien- 1-one
15-Keto Travoprost
C26H33F3O6 (498.22291140000004)
Olorofim
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
drummondin E
A member of the class of resorcinols that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis.
12-(3,4-Dimethoxy-phenyl)-10-(2-morpholin-4-yl-ethyl)-10,12-dihydro-7-oxa-8,10-diaza-benzo[a]anthra cen-11-ylideneamine
Masitinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, PDB, Protein Data Bank C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Butanoyl-4-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
validamycin A(1+)
C20H36NO13+ (498.21865460000004)
An ammonium ion resulting from the protonation of the amino group of validamycin A. The major species at pH 7.3.
2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-[4-oxo-2-(phenylmethyl)-3-quinazolinyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide
(2S,3S,3aR,9bR)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C27H34N2O5S (498.21883140000006)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
2-[(3S,6aR,8S,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
2-[(3R,6aR,8S,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3R,6aS,8S,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(1S,9R,10R,11R)-N-(2,3-dihydro-1H-inden-2-yl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-5-pyridin-4-yl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C27H34N2O5S (498.21883140000006)
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C27H34N2O5S (498.21883140000006)
1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
(1R,9S,10S,11S)-N-(2,3-dihydro-1H-inden-2-yl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-5-pyridin-4-yl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C27H34N2O5S (498.21883140000006)
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C27H34N2O5S (498.21883140000006)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-methylbenzenesulfonamide
C27H34N2O5S (498.21883140000006)
1-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
2-[(3R,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3R,6aS,8R,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-5-[(E)-2-phenylethenyl]-N-propyl-12-(pyridine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-5-[(E)-2-phenylethenyl]-N-propyl-12-(pyridine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide
1-[4-[[2-(2-Amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]methyl]-1-piperazinyl]-2-hydroxy-1-propanone
(8r,9s,10s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
1,5-dimethyl 3-[1-(furan-3-yl)-2',5',7a-trimethyl-3,4'-dioxo-6,7-dihydro-1h-spiro[cyclopenta[c]pyran-5,1'-cyclopentan]-2'-en-5'-yl]-2,2-dimethylpentanedioate
(1s,2s,3s,4s,7s,8z,11r,12s,13r,16r,17s)-2-(acetyloxy)-3,4,12,16,17-pentahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-11-yl acetate
(1r,4s,9s,10r,12s,17r)-9,10,15-trihydroxy-16-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,9,12,14-tetramethyl-4-(prop-1-en-1-yl)-3,11-dioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),14-diene-6,13-dione
(1r,2r,6s,7r,9s)-6,7,12-trihydroxy-4,13-bis[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
(1s,2r,4s,7s,8s,11r,12r,18s,20r)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-20-yl acetate
(9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2z)-2-methylbut-2-enoate
(2r,4as,8s,8ar)-8-{[(6,8-dimethoxy-2-oxochromen-7-yl)oxy]methyl}-4,4,8a-trimethyl-7-methylidene-3-oxo-hexahydronaphthalen-2-yl acetate
(9s,10s,11s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2e)-2-methylbut-2-enoate
(1r,4s,5z,7r,8s)-7-[(4e)-hex-4-enoyl]-3-hydroxy-8-[(2s)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl 2-methylbut-2-enoate
7-(hex-4-enoyl)-3-hydroxy-8-(3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl)-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
5,6,12,14-tetrahydroxy-13-[(2e)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]-7-(3-methylbut-2-en-1-yl)-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
7alpha-acetylobacunol
{"Ingredient_id": "HBIN013036","Ingredient_name": "7alpha-acetylobacunol","Alias": "NA","Ingredient_formula": "C28H34O8","Ingredient_Smile": "CC(=O)OC1CC2C(OC(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C","Ingredient_weight": "498.6 g/mol","OB_score": "36.07530404","CAS_id": "NA","SymMap_id": "SMIT07911","TCMID_id": "NA","TCMSP_id": "MOL006262","TCM_ID_id": "NA","PubChem_id": "57390140","DrugBank_id": "NA"}
Argininyl-fructosyl-glucose
{"Ingredient_id": "HBIN016722","Ingredient_name": "Argininyl-fructosyl-glucose","Alias": "argininyl-fructosyl-glucose","Ingredient_formula": "C18H34N4O12","Ingredient_Smile": "C1C(C(C(C(O1)(CNC(CCCN=C(N)N)C(=O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "498.56","OB_score": "0.740573214","CAS_id": "NA","SymMap_id": "SMIT01073","TCMID_id": "1674","TCMSP_id": "MOL005311","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,4s,7s,8s,10r,11r,12s,17r,19r)-7-(furan-3-yl)-10-hydroxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
methyl 2-[(1s,2r,4r,8r,9s,10r,13r)-2-(acetyloxy)-13-(furan-3-yl)-4-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-dien-9-yl]acetate
1-[13-(hexa-2,4-dienoyl)-3,6,7,10,12-pentahydroxy-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-3,10,12-trien-4-yl]hexa-2,4-dien-1-one
16-acetyl-1-methoxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
(9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2e)-2-methylbut-2-enoate
(1s,2r,4z,6s,7r,9r,13z)-6,7,12-trihydroxy-4,13-bis[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
methyl 2-[(1s,2r,8r,9s,10r,13r)-2-(acetyloxy)-13-(furan-3-yl)-4-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-dien-9-yl]acetate
[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2e,5r,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoate
(1s,2r,4s,7s,8s,10s,11r,12s,17r,19r)-7-(furan-3-yl)-10-hydroxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
14-(acetyloxy)-2,5,10,11-tetrahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-19-yl acetate
(4z,13z)-6,7,12-trihydroxy-4,13-bis[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
(1s,2r,4s,7s,8s,11r,12r,18r,20r)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-20-yl acetate
(1s,4s,12r,14s,17s,25r)-25-(2-methylbut-3-en-2-yl)-2,15-dioxo-3,5,16,18-tetraazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6,8,10,19,21,23-hexaen-12-yl acetate
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 5,8-dihydroxy-2,6-dimethylocta-2,6-dienoate
(9s,10s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
(1s,2r,4s,7s,8s,11r,12r,17r,18r,19s)-7-(furan-3-yl)-18-hydroxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
(2e,4e)-1-[(1r,2r,6s,7r,9s)-13-[(2e,4e)-hexa-2,4-dienoyl]-3,6,7,10,12-pentahydroxy-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-3,10,12-trien-4-yl]hexa-2,4-dien-1-one
(8s,9s,10s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
(1s,2r,4s,7s,8s,11r,12r,13r,15r,18r,20r)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,16-dioxo-3,6,14-trioxahexacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸.0¹³,¹⁵]icosan-20-yl acetate
(1r,2s,6s,7s,8s,9s,12z)-2-[(4e)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.0²,⁷]dodec-4-ene-3,10,11-trione
2-acetyl-4-({3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
5,9,10-trihydroxy-7-(3-hydroxy-3-methylbutyl)-2-(2-hydroxypropan-2-yl)-8-(3-methylbut-2-en-1-yl)-1h,2h-furo[2,3-c]xanthen-6-one
3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl 2-methylbut-2-enoate
(1s,2r,6r,7r,8r,9r,12z)-2-[(4e)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.0²,⁷]dodec-4-ene-3,10,11-trione
methyl 13-(furan-3-yl)-2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-diene-4-carboxylate
methyl 2-[2-(acetyloxy)-13-(furan-3-yl)-4-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-dien-9-yl]acetate
9,10,15-trihydroxy-16-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,9,12,14-tetramethyl-4-(prop-1-en-1-yl)-3,11-dioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),14-diene-6,13-dione
(1r,2r,3r,5s,10r,11r,13s,14s,16r,19s)-14-(acetyloxy)-2,5,10,11-tetrahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-19-yl acetate
(9r,10r,11s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2e)-2-methylbut-2-enoate
25-(2-methylbut-3-en-2-yl)-2,15-dioxo-3,5,16,18-tetraazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6,8,10,19,21,23-hexaen-12-yl acetate
2-(hex-4-enoyl)-5,6,9-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.0²,⁷]dodec-4-ene-3,10,11-trione
(1r,4r,9s,10r,12s,17r)-9,10,15-trihydroxy-16-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,9,12,14-tetramethyl-4-(prop-1-en-1-yl)-3,11-dioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),14-diene-6,13-dione
2-(hex-4-enoyl)-5,6,9-trihydroxy-12-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,4,6,9-tetramethyltricyclo[6.2.2.0²,⁷]dodec-4-ene-3,10,11-trione
(1s,2s,3s,4s,7s,8z,11r,12s,13s,16r,17s)-2-(acetyloxy)-3,4,12,16,17-pentahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-11-yl acetate
1,5-dimethyl (3r)-3-[(1r,5r,5'r,7ar)-1-(furan-3-yl)-2',5',7a-trimethyl-3,4'-dioxo-6,7-dihydro-1h-spiro[cyclopenta[c]pyran-5,1'-cyclopentan]-2'-en-5'-yl]-2,2-dimethylpentanedioate
7-(furan-3-yl)-18-hydroxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-20-yl acetate
(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,19s)-14-(acetyloxy)-2,5,10,11-tetrahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-19-yl acetate
(2r)-1-(5,7-dihydroxy-2,2-dimethyl-6-{[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}chromen-8-yl)-2-methylbutan-1-one
1,5-dimethyl (3r)-3-[(1r,5r,5's,7ar)-1-(furan-3-yl)-2',5',7a-trimethyl-3,4'-dioxo-6,7-dihydro-1h-spiro[cyclopenta[c]pyran-5,1'-cyclopentan]-2'-en-5'-yl]-2,2-dimethylpentanedioate
(1s,2s,3s,7r,8r,10s,11e)-7-[(4e)-hex-4-enoyl]-3,6,10-trihydroxy-11-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-3,5,8,10-tetramethyltricyclo[6.2.2.0²,⁷]dodec-5-ene-4,9,12-trione
8-{[(6,8-dimethoxy-2-oxochromen-7-yl)oxy]methyl}-4,4,8a-trimethyl-7-methylidene-3-oxo-hexahydronaphthalen-2-yl acetate
(9r,10s,11s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2z)-2-methylbut-2-enoate
(2r)-2-[(2s,3s,6r)-3-{[(2s)-2-amino-1,3-dihydroxypropylidene]amino}-6-[2-hydroxy-5-(hydroxymethyl)-4-iminopyrimidin-1-yl]-3,6-dihydro-2h-pyran-2-yl]-5-carbamimidamido-2-hydroxypentanoic acid
C19H30N8O8 (498.21864999999997)