Exact Mass: 627.3255
Exact Mass Matches: 627.3255
Found 171 metabolites which its exact mass value is equals to given mass value 627.3255,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dabigatran etexilate
ethyl 3-(1-{2-[({4-[amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate
Dabigatran etexilate is an oral prodrug that is metabolized by a serum esterase to dabigatran. It is a synthetic, competitive and reversible direct thrombin inhibitor. Inhibition of thrombin disrupts the coagulation cascade and inhibits the formation of clots. Dabigatran etexilate may be used to decrease the risk of venous thromboembolic events in patients who have undergone total hip or knee replacement surgery, or to prevent stroke and systemic embolism in patients with atrial fibrillation, in whom anticoagulation therapy is indicated. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AE - Direct thrombin inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173066 - Direct Thrombin Inhibitor D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins
Boc-val-pro-arg-mca
tert-butyl N-{1-[2-({4-[(diaminomethylidene)amino]-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
Bulleyaconitine A
11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl acetate
(Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid
(Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid
bulleyaconitine A
[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
Bulleyaconitine a is a diterpene alkaloid. It is functionally related to an aconitane. Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.
Bulleyaconi
[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
Bulleyaconitine a is a diterpene alkaloid. It is functionally related to an aconitane. Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.
Foresaconitine
[(1S,2R,3R,4S,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Foresaconitine is a diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite and a xenobiotic. It is an acetate ester, a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound, a benzoate ester and an aromatic ether. It derives from a hydride of an aconitane. CID 20055981 is a natural product found in Aconitum hemsleyanum, Aconitum forrestii, and Aconitum carmichaelii with data available. A diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species.
Phe Ile Trp Tyr
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Ile Tyr Trp
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Leu Trp Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Leu Tyr Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Trp Ile Tyr
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Trp Leu Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Trp Tyr Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
Phe Trp Tyr Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
Phe Tyr Ile Trp
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Tyr Leu Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Tyr Trp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid
Phe Tyr Trp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid
Ile Phe Trp Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Ile Phe Tyr Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Ile Trp Phe Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Ile Trp Tyr Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Ile Tyr Phe Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Ile Tyr Trp Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Leu Phe Trp Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Leu Phe Tyr Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Leu Trp Phe Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Leu Trp Tyr Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Leu Tyr Phe Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Leu Tyr Trp Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Trp Phe Ile Tyr
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Phe Leu Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Phe Tyr Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
Trp Phe Tyr Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
Trp Ile Phe Tyr
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Ile Tyr Phe
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Trp Leu Phe Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Leu Tyr Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Trp Tyr Phe Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylpentanoic acid
Trp Tyr Phe Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanoic acid
Trp Tyr Ile Phe
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-phenylpropanoic acid
Trp Tyr Leu Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanoic acid
Tyr Phe Ile Trp
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Phe Leu Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Phe Trp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid
Tyr Phe Trp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid
Tyr Ile Phe Trp
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Ile Trp Phe
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Tyr Leu Phe Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Leu Trp Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Tyr Trp Phe Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-methylpentanoic acid
Tyr Trp Phe Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-methylpentanoic acid
Tyr Trp Ile Phe
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-phenylpropanoic acid
Tyr Trp Leu Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-phenylpropanoic acid
Dabigatran etexilate
Dabigatran etexilate mesilate (salt form);Ethyl 3-[[[4-[[[(hexyloxyl)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino] propanoate (INN)
5-Hydroxy-6-S-glutathionyl-7,9,11-eicosatrienoic acid
5-Hydroxy-6-S-glutathionyl-7,9,11-eicosatrienoic acid
[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxydodecanoyl]amino]-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydecanoate
[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxydodecanoyl]amino]-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydecanoate
ethyl N-[(2-{[(4-{N-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
ethyl N-[(2-{[(4-{N-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
Primary fluorescent chlorophyll catabolite(1-)
Primary fluorescent chlorophyll catabolite(1-)
A monocarboxylic acid anion that is the conjugate base of primary fluorescent chlorophyll catabolite resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
2-amino-3-[[3-heptanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-heptanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-amino-3-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-amino-3-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
leukotriene C3
leukotriene C3
A leukotriene that is (5S,7E,9E,11Z)-5-hydroxyicosa-7,9,11-trienoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.
PS(25:5)
PS(14:1_11:4)
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Compound 48/80 (trihydrochloride)
Compound 48/80 (trihydrochloride)
Compound 48/80 trihydrochloride (C48/80 trihydrochloride) is a mixture of condensation products of N-methyl-p-methoxyphenethylamine with formaldehyde. Compound 48/80 trihydrochloride is also a histamine releaser and a mast cell degranulator. Compound 48/80 inhibits phosphatidylinositol-specific phospholipase C activity from human platelets [1][2][3].
Gambogic amide
Gambogic amide
Gambogic amide is a potent and selective agonist of TrkA and also induces its tyrosine phosphorylation and activation of downstream signaling, including Akt and MAPK. Gambogic amide specifically interacts with the cytoplasmic juxtamembrane domain of the TrkA receptor and triggers its dimerization, leading to activation. Gambogic amide has neuroprotective activity preventing glutamate-induced neuronal cell death. Gambogic amide has improved efficacy in a transient middle cerebral artery occlusion model of stroke and could be used to study neurodegenerative diseases and stroke[1].
(1s,2r,3r,4s,5r,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(1s,2r,3r,4s,5r,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
methyl 2-[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
methyl 2-[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid
{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid
(2s,5s,8s,11s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
(2s,5s,8s,11s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
13-deoxo-3 alpha-acetyloxytaxine b
13-deoxo-3α-acetyloxytaxine b
{"Ingredient_id": "HBIN001166","Ingredient_name": "13-deoxo-3 alpha-acetyloxytaxine b","Alias": "13-deoxo-3\u03b1-acetyloxytaxine b","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30861;5139","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'beat,7beta,9alpha-trisdeacetylaustrospicatine
NA
{"Ingredient_id": "HBIN005340","Ingredient_name": "2'beat,7beta,9alpha-trisdeacetylaustrospicatine","Alias": "NA","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'β,7β,9α-trisdeacetylaustrospicatine
NA
{"Ingredient_id": "HBIN005381","Ingredient_name": "2'\u03b2,7\u03b2,9\u03b1-trisdeacetylaustrospicatine","Alias": "NA","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22014","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,3r,4r,5s,6s,8s,9r,10r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
(1s,2r,3r,4r,5s,6s,8s,9r,10r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
(2s,5s,8s,11s,14r,15r)-8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
(2s,5s,8s,11s,14r,15r)-8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate
4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate
5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(2s,3s,3as,4r,7r,8s,12s,13ar)-7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
(2s,3s,3as,4r,7r,8s,12s,13ar)-7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
(2s,3s,3ar,4r,7r,8s,12s,13ar)-4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
(2s,3s,3ar,4r,7r,8s,12s,13ar)-4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate
(3s,6s,9s,12s)-9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione
(3s,6s,9s,12s)-9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione
methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate
methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate
(2s,5s,8s,11s,14s,15s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
(2s,5s,8s,11s,14s,15s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
(5s,6s,8r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
(5s,6s,8r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one
9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one
(1r,2r,3r,4r,5r,6s,8r,9s,10s,13r,16r,17s,18s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(1r,2r,3r,4r,5r,6s,8r,9s,10s,13r,16r,17s,18s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione
9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione
(1s,11s,12r,13r,14e,16s,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium
(1s,11s,12r,13r,14e,16s,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium
[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylpentanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid
[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylpentanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid
methyl 2-[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
methyl 2-[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
(3s,6s,9s,12s)-9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one
(3s,6s,9s,12s)-9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
(1s,11s,12r,13r,14z,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium
(1s,11s,12r,13r,14z,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium
8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate
8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
(2s,3s,5r,8r,13s,17s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(2s,3s,5r,8r,13s,17s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
