Exact Mass: 524.2594496
Exact Mass Matches: 524.2594496
Found 500 metabolites which its exact mass value is equals to given mass value 524.2594496
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fedratinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EJ - Janus-associated kinase (jak) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate
L-Proline, 1-(N2-(1-carboxy-3-phenylpropyl)-N6-((4-hydroxyphenyl)iminomethyl)-L-lysyl)-, (S)-
Elgodipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C93038 - Cation Channel Blocker
Falecalcitriol
C27H38F6O3 (524.2724989999999)
Sucrose laurate
Sucrose monolaurate
Sucrose, 1-laurate
Okaramine C
An indole alkaloid isolated from Penicillium simplicissimum. It exhibits insecticidal activity.
2alpha-acetyloxy-4beta-hydroxy-6alpha-angeloyloxy-10beta-cinnamoyloxydauc-8-ene|2??-Acetoxy-4??-hydroxy-6??-angeloyloxy-10??-cinnamoyloxy-dauc-8-ene
13alpha-acetoxy-5-alpha-cinnamoyloxy-11(15-1)abeotaxa-4(20),11-diene-9alpha,10beta,15-triol
10beta-acetoxy-2alpha,9alpha-dihydroxy-5alpha-cinnamoyloxy-3,11-cyclotaxa-4(20)-en-13-one
Ser Gln Tyr Lys
Valtrate hydrine B4
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate
C31H40O7_3,9-Diacetoxy-2,6,6,13-tetramethyl-12-oxotetracyclo[11.2.1.0~1,10~.0~2,7~]hexadec-8-yl benzoate
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]
Cys Phe Lys Lys
C24H40N6O5S (524.2780750000001)
Cys Phe Lys Gln
Cys Phe Gln Lys
Cys Lys Phe Lys
C24H40N6O5S (524.2780750000001)
Cys Lys Phe Gln
Cys Lys Lys Phe
C24H40N6O5S (524.2780750000001)
Cys Lys Gln Phe
Cys Gln Phe Lys
Cys Gln Lys Phe
Asp Phe Ile Met
Asp Phe Leu Met
Asp Phe Met Ile
Asp Phe Met Leu
Asp Ile Phe Met
Asp Ile Met Phe
Asp Leu Phe Met
Asp Leu Met Phe
Asp Met Phe Ile
Asp Met Phe Leu
Asp Met Ile Phe
Asp Met Leu Phe
Glu Phe Met Val
Glu Phe Val Met
Glu Ile Thr Tyr
Glu Ile Tyr Thr
Glu Leu Thr Tyr
Glu Leu Tyr Thr
Glu Met Phe Val
Glu Met Val Phe
Glu Thr Ile Tyr
Glu Thr Leu Tyr
Glu Thr Tyr Ile
Glu Thr Tyr Leu
Glu Val Phe Met
Glu Val Met Phe
Glu Tyr Ile Thr
Glu Tyr Leu Thr
Glu Tyr Thr Ile
Glu Tyr Thr Leu
Phe Cys Lys Lys
C24H40N6O5S (524.2780750000001)
Phe Cys Lys Gln
Phe Cys Gln Lys
Phe Asp Ile Met
Phe Asp Leu Met
Phe Asp Met Ile
Phe Asp Met Leu
Phe Lys Cys Lys
C24H40N6O5S (524.2780750000001)
Phe Lys Cys Gln
Phe Lys Lys Cys
C24H40N6O5S (524.2780750000001)
Phe Lys Gln Cys
Phe Pro Val Tyr
Phe Pro Tyr Val
Phe Gln Cys Lys
Phe Gln Lys Cys
Phe Val Pro Tyr
Phe Val Tyr Pro
Phe Tyr Pro Val
Phe Tyr Val Pro
His Ile Gln Gln
His Leu Gln Gln
His Asn Arg Val
His Asn Val Arg
His Gln Ile Gln
His Gln Leu Gln
His Gln Gln Ile
His Gln Gln Leu
His Arg Asn Val
His Arg Val Asn
His Val Asn Arg
His Val Arg Asn
Ile Glu Thr Tyr
Ile Glu Tyr Thr
Ile His Gln Gln
Ile Met Val Tyr
Ile Met Tyr Val
Ile Gln His Gln
Ile Gln Gln His
Ile Thr Glu Tyr
Ile Thr Tyr Glu
Ile Val Met Tyr
Ile Val Tyr Met
Ile Tyr Glu Thr
Ile Tyr Met Val
Ile Tyr Thr Glu
Ile Tyr Val Met
Lys Cys Phe Lys
C24H40N6O5S (524.2780750000001)
Lys Cys Phe Gln
Lys Cys Lys Phe
C24H40N6O5S (524.2780750000001)
Lys Cys Gln Phe
Lys Phe Cys Lys
C24H40N6O5S (524.2780750000001)
Lys Phe Cys Gln
Lys Phe Lys Cys
C24H40N6O5S (524.2780750000001)
Lys Phe Gln Cys
Lys Lys Cys Phe
C24H40N6O5S (524.2780750000001)
Lys Lys Phe Cys
C24H40N6O5S (524.2780750000001)
Lys Asn Thr Tyr
Lys Asn Tyr Thr
Lys Gln Cys Phe
Lys Gln Phe Cys
Lys Gln Ser Tyr
Lys Gln Tyr Ser
Lys Ser Gln Tyr
Lys Ser Tyr Gln
Lys Thr Asn Tyr
Lys Thr Tyr Asn
Lys Tyr Asn Thr
Lys Tyr Gln Ser
Lys Tyr Ser Gln
Lys Tyr Thr Asn
Leu Glu Thr Tyr
Leu Glu Tyr Thr
Leu His Gln Gln
Leu Met Val Tyr
Leu Met Tyr Val
Leu Gln His Gln
Leu Gln Gln His
Leu Thr Glu Tyr
Leu Thr Tyr Glu
Leu Val Met Tyr
Leu Val Tyr Met
Leu Tyr Glu Thr
Leu Tyr Met Val
Leu Tyr Thr Glu
Leu Tyr Val Met
Met Ile Val Tyr
Met Ile Tyr Val
Met Leu Val Tyr
Met Leu Tyr Val
Met Val Ile Tyr
Met Val Leu Tyr
Met Val Tyr Ile
Met Val Tyr Leu
Met Tyr Ile Val
Met Tyr Leu Val
Met Tyr Val Ile
Met Tyr Val Leu
Asn His Arg Val
Asn His Val Arg
Asn Lys Thr Tyr
Asn Lys Tyr Thr
Asn Arg His Val
Asn Arg Val His
Asn Thr Lys Tyr
Asn Thr Tyr Lys
Asn Val His Arg
Asn Val Arg His
Asn Tyr Lys Thr
Asn Tyr Thr Lys
Pro Phe Val Tyr
Pro Phe Tyr Val
Pro Val Phe Tyr
Pro Val Tyr Phe
Pro Tyr Phe Val
Pro Tyr Val Phe
Gln Cys Phe Lys
Gln Cys Lys Phe
Gln Phe Cys Lys
Gln Phe Lys Cys
Gln His Ile Gln
Gln His Leu Gln
Gln His Gln Ile
Gln His Gln Leu
Gln Ile His Gln
Gln Ile Gln His
Gln Lys Cys Phe
Gln Lys Phe Cys
Gln Lys Ser Tyr
Gln Lys Tyr Ser
Gln Leu His Gln
Gln Leu Gln His
Gln Gln His Ile
Gln Gln His Leu
Gln Gln Ile His
Gln Gln Leu His
Gln Ser Lys Tyr
Gln Ser Tyr Lys
Gln Tyr Lys Ser
Gln Tyr Ser Lys
Arg His Asn Val
Arg His Val Asn
Arg Asn His Val
Arg Asn Val His
Arg Val His Asn
Arg Val Asn His
Ser Lys Gln Tyr
Ser Lys Tyr Gln
Ser Gln Lys Tyr
Ser Tyr Lys Gln
Ser Tyr Gln Lys
Thr Glu Ile Tyr
Thr Glu Leu Tyr
Thr Glu Tyr Ile
Thr Glu Tyr Leu
Thr Ile Glu Tyr
Thr Ile Tyr Glu
Thr Lys Asn Tyr
Thr Lys Tyr Asn
Thr Leu Glu Tyr
Thr Leu Tyr Glu
Thr Asn Lys Tyr
Thr Asn Tyr Lys
Thr Tyr Glu Ile
Thr Tyr Glu Leu
Thr Tyr Ile Glu
Thr Tyr Lys Asn
Thr Tyr Leu Glu
Thr Tyr Asn Lys
Val Phe Pro Tyr
Val Phe Tyr Pro
Val His Asn Arg
Val His Arg Asn
Val Ile Met Tyr
Val Ile Tyr Met
Val Leu Met Tyr
Val Leu Tyr Met
Val Met Ile Tyr
Val Met Leu Tyr
Val Met Tyr Ile
Val Met Tyr Leu
Val Asn His Arg
Val Asn Arg His
Val Pro Phe Tyr
Val Pro Tyr Phe
Val Arg His Asn
Val Arg Asn His
Val Tyr Phe Pro
Val Tyr Ile Met
Val Tyr Leu Met
Val Tyr Met Ile
Val Tyr Met Leu
Val Tyr Pro Phe
Tyr Glu Ile Thr
Tyr Glu Leu Thr
Tyr Glu Thr Ile
Tyr Glu Thr Leu
Tyr Phe Pro Val
Tyr Phe Val Pro
Tyr Ile Glu Thr
Tyr Ile Met Val
Tyr Ile Thr Glu
Tyr Ile Val Met
Tyr Lys Asn Thr
Tyr Lys Gln Ser
Tyr Lys Ser Gln
Tyr Lys Thr Asn
Tyr Leu Glu Thr
Tyr Leu Met Val
Tyr Leu Thr Glu
Tyr Leu Val Met
Tyr Met Ile Val
Tyr Met Leu Val
Tyr Met Val Ile
Tyr Met Val Leu
Tyr Asn Lys Thr
Tyr Asn Thr Lys
Tyr Pro Phe Val
Tyr Pro Val Phe
Tyr Gln Lys Ser
Tyr Gln Ser Lys
Tyr Ser Lys Gln
Tyr Ser Gln Lys
Tyr Thr Glu Ile
Tyr Thr Glu Leu
Tyr Thr Ile Glu
Tyr Thr Lys Asn
Tyr Thr Leu Glu
Tyr Thr Asn Lys
Tyr Val Phe Pro
Tyr Val Ile Met
Tyr Val Leu Met
Tyr Val Met Ile
Tyr Val Met Leu
Tyr Val Pro Phe
(5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
C27H38F6O3 (524.2724989999999)
(5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
C27H38F6O3 (524.2724989999999)
3,9-Diacetoxy-2,6,6,13-tetramethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadec-8-yl benzoate
26,26,26,27,27,27-hexafluoro-1alpha,24-dihydroxyvitamin D3
26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxyvitamin D3
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-(4-(1-methylpiperidin-4-yl)phenylamino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
[(1R,2R,3S)-2,3-bis(diphenylphosphanylmethyl)-1,2-dimethylcyclopentyl]methanol
2-(BENZYL(1-(4-METHOXYPHENYL)PROPAN-2-YL)AMINO)-1-(4-(BENZYLOXY)-3-NITROPHENYL)ETHANONE
VTP-27999
2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
2-(methylthio)-4,6-bis(N-tert-butyloxy-carbonyl-piperidin-4-yloxy)pyrimidine
alpha-d-Glucopyranoside, beta-d-fructofuranosyl, dodecanoate
Falecalcitriol
C27H38F6O3 (524.2724989999999)
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D003879 - Dermatologic Agents
6-(4-(2-(((2S)-3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl)amino)-2-methylpropyl)phenoxy)pyridine-3-carboxamide
C31H32N4O4 (524.2423431999999)
LY377604 is a human β3-adrenergic receptor agonist with an EC50 of 2.4 nM and also a β1- and β2-adrenergic receptor antagonist.
L-Proline, 1-(N2-(1-carboxy-3-phenylpropyl)-N6-((4-hydroxyphenyl)iminomethyl)-L-lysyl)-, (S)-
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Guanadrel sulfate
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Fedratinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EJ - Janus-associated kinase (jak) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
Sucrose-2-(2-methyl)butyryl-4-(4-methyl)pentanoate
Sucrose-2-(2-methyl)butyryl-4-(3-methyl)pentanoate
Sucrose-2-(3-methyl)pentanoyl-4-(2-methyl)butyrate
(5Z)-5-[(2E)-2-[7a-methyl-1-[7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
C27H38F6O3 (524.2724989999999)
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine(1-)
(3S)-3beta-[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-ylmethyl]-6-(1,1-dimethyl-2-propenyl)-2,3,4,5aalpha,6,10b,11,11aalpha-octahydro-10balpha-hydroxy-1H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4-dione
4-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxazolylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
[3-Methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate
(1R)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
3-cyclohexyl-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-methylurea
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
3-cyclohexyl-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-methylurea
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
3-cyclohexyl-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-methylurea
(1-acetyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-hexadec-9-enoate
C24H45O10P (524.2750199999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
C24H45O10P (524.2750199999999)
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tetradec-9-enoate
C24H45O10P (524.2750199999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate
C24H45O10P (524.2750199999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-tridec-9-enoate
C24H45O10P (524.2750199999999)
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
C24H45O10P (524.2750199999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-pentadec-9-enoate
C24H45O10P (524.2750199999999)
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate
C24H45O10P (524.2750199999999)
BIBS 39
BIBS 39 is a new nonpeptide angiotensin II (AII) receptor antagonist. Target: Angiotensin Receptor in vitro: BIBS 39 displaces [125I] AII from its specific binding sites with a Ki value of 29 ± 7 nM for the AII subtype 1 (AT1) receptor and a Ki value of 480 ± 110 nM for the AII subtype 2 (AT2) receptor. BIBS 222 shows a Ki value of 20 ± 7 nM for the AT1 subtype and a Ki value of 730 ± 170 nM for the AT2 subtype. BIBS 39 is 17 times more selective for the AT1 subtype and BIBS 222 37 times. BIBS 39 shifts the AII concentration-contractile response curves in isolated rabbit aorta to the right in a parallel fashion. [1] in vivo: In pithed rats, BIBS 39 dependently shifts the dose-response curve of AII to the right without affecting the maximal response. BIBS 222 also causes parallel shifts to the right but a significant reduction of the maximal responses was observed at 3 and 10 mg/kg i.v. These results show that the benzimidazole derivatives BIBS 39 is a potent and selective AII receptor antagonists. Substitution with a benzimidazole moiety results into a considerable loss of selectivity for the AT1 receptor subtype compared with an imidazole moiety as, for instance, in DuP 753.[1] BIBS 39 is a new nonpeptide angiotensin receptor blockers that has affinity for both AT1- and AT2-receptors, is also a potent antagonist of the cardiovascular effects of AII in pithed rabbits. [2]
(1r,2r,3s,4s,5r,7s,12s,14s,19s,21r,22s,23s)-9,12,17-trihydroxy-3,4,6,6,20,20,22,23-octamethyl-13-oxaheptacyclo[12.9.0.0²,¹².0⁴,¹⁰.0⁵,⁷.0¹⁶,²².0¹⁹,²¹]tricosa-9,16-diene-8,11,15,18-tetrone
(2r,3s,4e)-4-[(3r,4e,8z)-3-hydroxy-10-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-4,8-dimethyldeca-4,8-dien-1-ylidene]-2-(2-methylprop-1-en-1-yl)-5-oxooxolan-3-yl acetate
(1s,2s,3r,4ar,5r,6s,8s,8ar)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2s)-hexahydrofuro[2,3-b]furan-2-yl]-3-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl propanoate
(1r,4ar,5s,6r,7s,8r,8ar)-5-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-6,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-7-yl (2s)-2-methylbutanoate
(3s,4e,7s,8r,9e,12r)-12-[(2z)-but-2-en-2-yl]-8-{[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl 3-methylbutanoate
(3e,5s,8r,9r,10s,11r,13r,15r,16s,18z)-11-ethenyl-2,9,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaene-7,28-dione
(8r,9r)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyl-8-phenoxytricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-9-ol
9-{8,10-dihydroxy-1,4,11-trimethyl-9-oxotricyclo[6.3.0.0²,⁶]undec-10-ene-4-carbonyloxy}-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0²,⁶]undec-8-ene-4-carboxylic acid
2-[(4-{4-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]butyl}-3,3,5-trimethylcyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-[(2s,3r,4r,5r)-5-(4-{[(1r,2s)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
(1r,2r,3r,4r,7s,9r,10r,11r,14s)-2-(acetyloxy)-3,10,14-trihydroxy-4,15,15-trimethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl (2e)-3-phenylprop-2-enoate
12-(but-2-en-2-yl)-8-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl 3-methylbutanoate
12'-acetyl-10'-hydroxy-6,9'-dimethyl-4'-methylidene-5-(3-oxobut-1-en-1-yl)-4,6',9-trioxaspiro[tricyclo[6.3.0.0³,⁵]undecane-11,13'-tricyclo[8.4.0.0³,⁷]tetradecan]-11'-ene-5',10-dione
14,15-dihydro-15β-methoxy-3-epicaryoptin
{"Ingredient_id": "HBIN001318","Ingredient_name": "14,15-dihydro-15\u03b2-methoxy-3-epicaryoptin","Alias": "NA","Ingredient_formula": "C27H40O10","Ingredient_Smile": "CC1CC(C2(C(C1(C)C3CC4CC(OC4O3)OC)CCC(C25CO5)OC(=O)C)COC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α-acetoxy-4β-hydroxy-6α-angeloyloxy-10β-cinnamoyloxy-dauc-8-ene
{"Ingredient_id": "HBIN005266","Ingredient_name": "2\u03b1-acetoxy-4\u03b2-hydroxy-6\u03b1-angeloyloxy-10\u03b2-cinnamoyloxy-dauc-8-ene","Alias": "NA","Ingredient_formula": "C31H40O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "208","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-hydroxy-2,16-dimethyl-3,6-dioxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,14-dien-13-yl acetate
4-[5-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
9,20-dihydroxy-1,2,6,6,11,18,23,23-octamethyl-7,8,21,22-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹².0⁵,⁹.0¹⁷,²⁶.0²⁰,²⁴]hexacosa-3(12),4,17(26),24-tetraene-13,16-dione
5-[1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-6,7-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-8-yl 2-methylbutanoate
(2r)-2-hydroxy-2-[(2r,5r,6r)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]-n-[(1e,4r)-4-hydroxy-6-[(2s)-2-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3,5-dimethyl-6-oxohex-1-en-1-yl]ethanimidic acid
C25H40N4O8 (524.2846000000001)
(1r,4ar,5s,6r,7s,8r,8ar)-5-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-6,7-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-8-yl 2-methylbutanoate
(1r,3s,3as,9ar,11ar)-1-acetyl-3a-hydroxy-9a,11a-dimethyl-3-{[(2r,3s,5s)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
[(1r,2s,6r,10s,11r,13s,15r)-13-(acetyloxy)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-8-yl]methyl 4-methoxybenzoate
(1s,1's,3r,3'r,5r,6r,7'r,8s,9's,10's,11r)-12'-acetyl-10'-hydroxy-6,9'-dimethyl-4'-methylidene-5-[(1e)-3-oxobut-1-en-1-yl]-4,6',9-trioxaspiro[tricyclo[6.3.0.0³,⁵]undecane-11,13'-tricyclo[8.4.0.0³,⁷]tetradecan]-11'-ene-5',10-dione
(1r,3as,7s)-1-acetyl-3a-hydroxy-9a,11a-dimethyl-7-{[(2s,3s,5s)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-one
(1'r,3s,4's,7'r,8's)-6'-[(2r)-1-[(3s,3as,4r,5s,6as)-4-(hydroxymethyl)-5-methyl-2-oxo-hexahydrocyclopenta[b]furan-3-yl]-2-hydroxypropan-2-yl]-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
(1r,4s,7s,9s)-6,9-dihydroxy-16-(2-methylbut-3-en-2-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
4-[(2s,3r,4s,5s)-5-(4-{[(1s,2r)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
12,17-dihydroxy-5,10,14,15,19,24-hexamethyl-8,21-dioxanonacyclo[12.12.0.0¹,⁶.0²,¹⁵.0²,²³.0⁴,²⁴.0⁵,²⁵.0⁷,¹¹.0¹⁸,²²]hexacosane-3,9,20,26-tetrone
(1s,2s,9s,11s,14r,15r,18s,20s)-9,20-dihydroxy-1,2,6,6,11,18,23,23-octamethyl-7,8,21,22-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹².0⁵,⁹.0¹⁷,²⁶.0²⁰,²⁴]hexacosa-3(12),4,17(26),24-tetraene-13,16-dione
2,8-bis(acetyloxy)-5-{5-methoxy-hexahydrofuro[2,3-b]furan-2-yl}-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
5-[(3,5-dihydroxyoctanoyl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoic acid
(1r,3as,3br,5r,5ar,9as,9bs,11as)-5a-chloro-1,3a,5-trihydroxy-1-[(1r)-1-[(1s,2r,4r,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-9a,11a-dimethyl-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one
(1r,3r,5s,6ar,7r,8s,10s,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(2-methylidenebut-3-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl benzoate
(1r,2s,4ar,5s,6r,8s,8ar)-5-[(2s,3as,5r,6as)-5-methoxy-hexahydrofuro[2,3-b]furan-2-yl]-2,8-bis(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
9,12,17-trihydroxy-3,4,6,6,20,20,22,23-octamethyl-13-oxaheptacyclo[12.9.0.0²,¹².0⁴,¹⁰.0⁵,⁷.0¹⁶,²².0¹⁹,²¹]tricosa-9,16-diene-8,11,15,18-tetrone
5-[(3,5-dihydroxyoctanoyl)oxy]-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoic acid
[(1s,6s,7r,7as)-4-[(acetyloxy)methyl]-7-hydroxy-1,6-bis[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate
5-[1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-6,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-7-yl 2-methylbutanoate
(1r,4ar,5s,6r,7s,8r,8ar)-5-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-6,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-7-yl 2-methylbutanoate
[(1s,6s,7r,7as)-6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate
16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid
(1s,2s,9s,11r,14r,15r,18s,20s)-9,20-dihydroxy-1,2,6,6,11,18,23,23-octamethyl-7,8,21,22-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹².0⁵,⁹.0¹⁷,²⁶.0²⁰,²⁴]hexacosa-3(12),4,17(26),24-tetraene-13,16-dione
[13-(acetyloxy)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-8-yl]methyl 4-methoxybenzoate
(1r,2s,4as,5s,6r,8s,8ar)-5-[(2s,3ar,5r,6as)-5-methoxy-hexahydrofuro[2,3-b]furan-2-yl]-2,8-bis(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
(1s,2r,4s,6s,7s,10r,11r,16r,17r,18s)-18-(acetyloxy)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-17-yl acetate
(2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)-n-methylpropanamido]-n-[(1e)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid
C31H32N4O4 (524.2423431999999)
(1s,7r,9r)-6,9-dihydroxy-16-(2-methylbut-3-en-2-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
(1s,3s,3as,9ar,11ar)-1-acetyl-3a-hydroxy-9a,11a-dimethyl-3-{[(2r,3s,5s)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1s,3r,3as,4s,8s,8ar)-1-(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-8-{[(2e)-3-phenylprop-2-enoyl]oxy}-1,2,3a,4,5,8-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate
3,6-bis(acetyloxy)-2,7-dihydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1s,2r,4s,7s,8s,11r,12r,17r,19r)-7-(5-acetylfuran-3-yl)-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
(1r,2r,4r,5s,6s,7s,10s,11r,12s,14s,15s,17s,18r,19s,22s,23s,24s,25s)-12,17-dihydroxy-5,10,14,15,19,24-hexamethyl-8,21-dioxanonacyclo[12.12.0.0¹,⁶.0²,¹⁵.0²,²³.0⁴,²⁴.0⁵,²⁵.0⁷,¹¹.0¹⁸,²²]hexacosane-3,9,20,26-tetrone
(1'r,3s,4's,7'r,8's)-6'-[(2r)-1-[(3s,3ar,4r,5s,6as)-4-(hydroxymethyl)-5-methyl-2-oxo-hexahydrocyclopenta[b]furan-3-yl]-2-hydroxypropan-2-yl]-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
(2r,3s,4z)-4-[(4e,8z)-3-hydroxy-10-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-4,8-dimethyldeca-4,8-dien-1-ylidene]-2-(2-methylprop-1-en-1-yl)-5-oxooxolan-3-yl acetate
(1s,2r,4s,7r,8s,11r,12r,17r,19r)-7-(2-acetylfuran-3-yl)-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
(2s)-2-amino-n-{[(1s,2s,10r,13r)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid
{4-[(acetyloxy)methyl]-7-hydroxy-1,6-bis[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-7-yl}methyl 3-methylbutanoate
4-[(2r,3r,4r,5s)-5-(4-{[(1r,2s)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid
19-(acetyloxy)-16-(furan-3-yl)-8,8,12,17-tetramethyl-4,11-dioxo-7-oxapentacyclo[10.7.0.0²,⁶.0²,⁹.0¹³,¹⁷]nonadec-13-en-18-yl acetate
2-(acetyloxy)-3,10,14-trihydroxy-4,15,15-trimethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl 3-phenylprop-2-enoate
(2s,3as,4as,6s,8ar,9r,10r)-2-(acetyloxy)-9,10-dihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-6-yl (2e)-3-phenylprop-2-enoate
(3z,7s,8r,9e,12r)-12-[(2z)-but-2-en-2-yl]-8-{[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-3,9-dien-7-yl 3-methylbutanoate
6'-{2-hydroxy-1-[4-(hydroxymethyl)-5-methyl-2-oxo-hexahydrocyclopenta[b]furan-3-yl]propan-2-yl}-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
methyl (2s,3s,4r,5s,6r)-6-{[(1s,2r,3r,4as,7s,10ar)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylate
6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
2,4-dihydroxy-6-{9'-hydroxy-6,10',15'-trimethyl-6',12',14'-trioxaspiro[oxane-2,5'-tetracyclo[11.3.1.0²,¹¹.0³,⁸]heptadecane]-2',8',10'-trien-13'-ylmethyl}-3-methylbenzaldehyde
1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(2-methylidenebut-3-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl benzoate
(1r,4ar,5s,6r,7s,8r,8ar)-5-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-6,7-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-8-yl (2s)-2-methylbutanoate
(1r,3as,3br,5r,5ar,9as,9bs,11ar)-5a-chloro-1,3a,5-trihydroxy-1-[(1r)-1-[(1s,2r,4r,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-9a,11a-dimethyl-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one
(1r,2r,6s,9r,12r,16s,17s,18r,19r)-19-(acetyloxy)-16-(furan-3-yl)-8,8,12,17-tetramethyl-4,11-dioxo-7-oxapentacyclo[10.7.0.0²,⁶.0²,⁹.0¹³,¹⁷]nonadec-13-en-18-yl acetate
12-(but-2-en-2-yl)-8-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-3,9-dien-7-yl 3-methylbutanoate
2,4-dihydroxy-6-[(1's,2s,6s,13'r,15's)-9'-hydroxy-6,10',15'-trimethyl-6',12',14'-trioxaspiro[oxane-2,5'-tetracyclo[11.3.1.0²,¹¹.0³,⁸]heptadecane]-2',8',10'-trien-13'-ylmethyl]-3-methylbenzaldehyde
(2r,3r,4s,5s,6r)-2-{[(1s,4s,5r)-4-[(3s)-4-hydroxy-3-{[(2r,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}butyl]-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
17-(acetyloxy)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-18-yl acetate
(1r,2r,3r,4s,6r,7s,9s,10s,11s,13s,14s)-3,6-bis(acetyloxy)-2,7-dihydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
5a-chloro-1,3a,5-trihydroxy-1-(1-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}ethyl)-9a,11a-dimethyl-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one
(1r,4s,7s,9s)-6,9-dihydroxy-16-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
(2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)-n-methylpropanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid
C31H32N4O4 (524.2423431999999)