Exact Mass: 558.184951
Exact Mass Matches: 558.184951
Found 479 metabolites which its exact mass value is equals to given mass value 558.184951
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Physalin K
Physalin Q is found in fruits. Physalin Q is a constituent of Physalis alkekengi (winter cherry). Constituent of Physalis alkekengi (winter cherry). Physalin Q is found in fruits.
Piceatannol 4'-galloylglucoside
Piceatannol 4-galloylglucoside is found in green vegetables. Piceatannol 4-galloylglucoside is isolated from Chinese rhubarb (Rheum sp.). Isolated from Chinese rhubarb (Rheum species). Piceatannol 4-galloylglucoside is found in green vegetables.
Physalin I
From the famine food Physalis angulata (cutleaf ground cherry). Physalin I is found in herbs and spices and fruits. Physalin I is found in fruits. Physalin I is from the famine food Physalis angulata (cutleaf ground cherry).
Ustiloxin C
Ustiloxin C is found in cereals and cereal products. Ustiloxin C is isolated from the false smut balls caused by Ustilaginoidea virens on rice. Isolated from the false smut balls caused by Ustilaginoidea virens on rice. Ustiloxin C is found in cereals and cereal products.
Sulforhodamine B
Sulforhodamine B is a food dye Sulforhodamine B or kiton red (C27H30N2O7S2) is a fluorescent dye with uses spanning from laser-induced fluorescence (LIF) to the quantification of cellular proteins of cultured cells. The red, solid, water-soluble dye is primarily used as a polar tracer D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes Food dye
Glaucarubol 15-O-beta-D-glucopyranoside
Glaucarubol 15-O-beta-D-glucopyranoside is found in fats and oils. Glaucarubol 15-O-beta-D-glucopyranoside is a constituent of Simarouba glauca (aceituno)
Alatrofloxacin
C26H25F3N6O5 (558.1838435999999)
Eravacycline
Napsagatran
C26H34N6O6S (558.2260424000001)
Olmesartan medoxomil
Lobetyolinin
Lobetyolinin shows anti-arrhythmic activity[1]. Lobetyolinin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Lobetyolinin shows anti-arrhythmic activity[1]. Lobetyolinin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Myrotoxin B
3,3,4,5-Tetrahydroxystilbene 3-O-beta-D-(6-O-galloylglucopyranoside)
2,3,4,5-Tetrahydroxystilbene 2-O-beta-D-(2-O-galloyl)glucopyranoside
2,3,4,5-Tetrahydroxystilbene 2-O-beta-D-(3-O-galloyl)glucopyranoside
Olmesartan medoxomil
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Olmesartan medoxomil is a potent and selective angiotensin AT1 receptor inhibitor with IC50 of 66.2 μM.
7-O-Methylepiafzelechin-(2beta->7,4beta->8)-epiafzelechin
3-Hydroxy-(3R,4S,3S)-4-(6,7-Dihydroxy-4-methoxyisoflavan-3-yl)-2,7-dihydroxy-4-methoxyisoflavan
1beta,8beta-diacetoxyl-6alpha,9alpha-difuroyloxydihydro-beta-agarofuran|orbiculin H
Punaglandin 2
Piceatannol 3-O-??-D-(6-O-galloyl)glucopyranoside|piceatannol 3-O-beta-D-(6-O-galloyl) glucopyranoside
15-O-[3-(4-Hydroxyphenyl)acetyl-beta-D-glucopyranoside-(5alpha,6alpha,9alpha)-9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide
2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl-peucedanol
(-)-EGC hexaacetate|(2R)-3c,5,7-Triacetoxy-2r-(3,4,5-triacetoxy-phenyl)-chroman|epigallocatechin hexaacetate
(2S,3R,4R,5S,6S)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triyl triacetate|3Ac-SL-0101|3Ac-SL0101|kaempferol 3-(3,4,5-tri-O-acetyl-alpha-L-rhamnoside)|kaempferol 3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)|kaempferol 3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)|Kaempferol-3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)
6-O-[(2E)-2,6-dimethyl-8-hydroxy-2-octenoyloxy]secologanoside|6-O-[(2E)-2,6-dimethyl-8-hydroxy-2-octenoyl]secologanoside
2-O-[(3-O-galloyl)-beta-D-glucopyranosyl]-2,3,5,4-tetrahydroxystilbene
1,3,8-tri(p-hydroxybenzyl)-4-methoxyphenanthrene-2,7-diol
4-[(6-O-protocatechuoyl-beta-D-glucopyranosyl)oxy]benzyl protocatechuate|amburoside E
methyl rel-(1S,2R,3R,5S,7R)-7-[(E)-caffeoyloxymethyl]-3-[(E)-caffeoyloxy]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate
5-oxodolichantoside|methyl (2R,3S,4R)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-{[(1R)-2,3,4,9-tetrahydro-2-methyl-3-oxo-1H-beta-carbolin-1-yl]methyl}-2H-pyran-5-carboxylate
12beta-O-beta-apiosyl-(1-6)-O-beta-glucopyranosyl hibiscone B|bombaside
2,6-dihydroxy-3-methyl-4-(6-O-galloyl-beta-D-glucopyranosyloxy)benzophenone
(S)-peucedanol 3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
2-O-[(2-O-galloyl)-beta-D-glucopyranosyl]-2,3,5,4-tetrahydroxystilbene
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one
Cys His His Tyr
C24H30N8O6S (558.2008920000001)
Cys His Asn Trp
C24H30N8O6S (558.2008920000001)
Cys His Trp Asn
C24H30N8O6S (558.2008920000001)
Cys His Tyr His
C24H30N8O6S (558.2008920000001)
Cys Asn His Trp
C24H30N8O6S (558.2008920000001)
Cys Asn Trp His
C24H30N8O6S (558.2008920000001)
Cys Trp His Asn
C24H30N8O6S (558.2008920000001)
Cys Trp Asn His
C24H30N8O6S (558.2008920000001)
Cys Tyr His His
C24H30N8O6S (558.2008920000001)
Asp Asp Phe Tyr
Asp Asp Tyr Phe
Asp Phe Asp Tyr
Asp Phe Phe Met
Asp Phe Met Phe
Asp Phe Tyr Asp
Asp Met Phe Phe
Asp Met Met Tyr
Asp Met Tyr Met
Asp Val Tyr Tyr
Asp Tyr Asp Phe
Asp Tyr Phe Asp
Asp Tyr Met Met
Asp Tyr Val Tyr
Asp Tyr Tyr Val
Glu Phe Thr Tyr
Glu Phe Tyr Thr
Glu His His His
Glu Thr Phe Tyr
Glu Thr Tyr Phe
Glu Tyr Phe Thr
Glu Tyr Thr Phe
Phe Asp Asp Tyr
Phe Asp Phe Met
Phe Asp Met Phe
Phe Asp Tyr Asp
Phe Glu Thr Tyr
Phe Glu Tyr Thr
Phe Phe Asp Met
Phe Phe Met Asp
Phe Met Asp Phe
Phe Met Phe Asp
Phe Met Met Met
Phe Thr Glu Tyr
Phe Thr Tyr Glu
Phe Tyr Asp Asp
Phe Tyr Glu Thr
Phe Tyr Thr Glu
His Cys His Tyr
C24H30N8O6S (558.2008920000001)
His Cys Asn Trp
C24H30N8O6S (558.2008920000001)
His Cys Trp Asn
C24H30N8O6S (558.2008920000001)
His Cys Tyr His
C24H30N8O6S (558.2008920000001)
His Glu His His
His His Cys Tyr
C24H30N8O6S (558.2008920000001)
His His Glu His
His His His Glu
His His Tyr Cys
C24H30N8O6S (558.2008920000001)
His Asn Cys Trp
C24H30N8O6S (558.2008920000001)
His Asn Trp Cys
C24H30N8O6S (558.2008920000001)
His Trp Cys Asn
C24H30N8O6S (558.2008920000001)
His Trp Asn Cys
C24H30N8O6S (558.2008920000001)
His Tyr Cys His
C24H30N8O6S (558.2008920000001)
His Tyr His Cys
C24H30N8O6S (558.2008920000001)
Met Asp Phe Phe
Met Asp Met Tyr
Met Asp Tyr Met
Met Phe Asp Phe
Met Phe Phe Asp
Met Phe Met Met
Met Met Asp Tyr
Met Met Phe Met
Met Met Met Phe
Met Met Tyr Asp
Met Tyr Asp Met
Met Tyr Met Asp
Asn Cys His Trp
C24H30N8O6S (558.2008920000001)
Asn Cys Trp His
C24H30N8O6S (558.2008920000001)
Asn His Cys Trp
C24H30N8O6S (558.2008920000001)
Asn His Trp Cys
C24H30N8O6S (558.2008920000001)
Asn Trp Cys His
C24H30N8O6S (558.2008920000001)
Asn Trp His Cys
C24H30N8O6S (558.2008920000001)
Thr Glu Phe Tyr
Thr Glu Tyr Phe
Thr Phe Glu Tyr
Thr Phe Tyr Glu
Thr Tyr Glu Phe
Thr Tyr Phe Glu
Val Asp Tyr Tyr
Val Tyr Asp Tyr
Val Tyr Tyr Asp
Trp Cys His Asn
C24H30N8O6S (558.2008920000001)
Trp Cys Asn His
C24H30N8O6S (558.2008920000001)
Trp His Cys Asn
C24H30N8O6S (558.2008920000001)
Trp His Asn Cys
C24H30N8O6S (558.2008920000001)
Trp Asn Cys His
C24H30N8O6S (558.2008920000001)
Trp Asn His Cys
C24H30N8O6S (558.2008920000001)
Tyr Cys His His
C24H30N8O6S (558.2008920000001)
Tyr Asp Asp Phe
Tyr Asp Phe Asp
Tyr Asp Met Met
Tyr Asp Val Tyr
Tyr Asp Tyr Val
Tyr Glu Phe Thr
Tyr Glu Thr Phe
Tyr Phe Asp Asp
Tyr Phe Glu Thr
Tyr Phe Thr Glu
Tyr His Cys His
C24H30N8O6S (558.2008920000001)
Tyr His His Cys
C24H30N8O6S (558.2008920000001)
Tyr Met Asp Met
Tyr Met Met Asp
Tyr Thr Glu Phe
Tyr Thr Phe Glu
Tyr Val Asp Tyr
Tyr Val Tyr Asp
Tyr Tyr Asp Val
Tyr Tyr Val Asp
FOOD Red 106
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Physalin K
PHYSALIN I
Glaucarubol 15-O-b-D-glucopyranoside
Piceatannol 4'-galloylglucoside
Ustiloxin C
Punaglandin 2
1,3,3-trimethyl-2-[2-phenyl-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole,perchlorate
4-[2-[2-chloro-3-[2-(1-ethylquinolin-1-ium-4-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-ethylquinoline,bromide
C32H32BrClN2 (558.1437242000001)
Bromotriphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)phosphorane
Methyl-6-O-(tert.-butyldiphenylsilyl)-2,3,4-tri-O-acetyl-α-D-galactopyranoside
Zirconium, 2,2-bis(2-propenyloxy-.kappa.O)methyl-1-butanolato-.kappa.Otris(2-methyl-2-propenoato-.kappa.O)-, (OC-6-22)-
UNII:0X2CW1QABJ
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Eravacycline
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Alatrofloxacin
C26H25F3N6O5 (558.1838435999999)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Fansidar
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Yadanziolide U
A quassinoid that is picras-3-ene substituted by hydroxy groups at positions 1, 11, 12 and 15, oxo groups at positions 2 and 16 and a beta-D-glucopyranosyloxy residue at position 21. It has been isolated from he ethanol extract of the stem of Brucea mollis.
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one
(7S,11S,13S,20R)-3,17,19-trihydroxy-23-(5-hydroxy-6-methyloxan-2-yl)oxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione
orbiculin H
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by acetoxy groups at positions 1 and 8 and furoyloxy groups at positions 6 and 9 (the 1beta,8beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus and exhibits inhibition of both NF-kappaB activation and nitric oxide production.
Asn-Trp-Cys-His
C24H30N8O6S (558.2008920000001)
A tetrapeptide composed of L-asparagine, L-tryptophan, L-cysteine and L-histidine joined in sequence by peptide linkages.
(2E)-3-ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
C33H35ClN2S2 (558.1930060000001)
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
C31H34N4O4S (558.2300644000001)
2,2,2-trifluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
C31H34N4O4S (558.2300644000001)
2,2,2-trifluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
2,2,2-trifluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C31H34N4O4S (558.2300644000001)
2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
rhodomycin D(1+)
An organic cation that is the conjugate acid of rhodomycin D, obtained by protonation of the amino group; major species at pH 7.3.
Tarafenacin (D-tartrate)
C25H26F4N2O8 (558.1625204000001)
Tarafenacin D-tartrate (SVT-40776 D-tartrate) is a highly selective M3 muscarinic receptor antagonist (Ki= 0.19 nM), ~200 fold selectivity over M2 receptor. IC50 value: 0.19 nM (Ki) [1] Target: M3 muscarinic receptor in vitro: SVT-40776 is highly selective for M(3) over M(2) receptors (Ki = 0.19 nmol.L(-1) for M(3) receptor affinity). SVT-40776 was the most potent in inhibiting carbachol-induced bladder contractions of the anti-cholinergic agents tested, without affecting atrial contractions over the same range of concentrations. SVT-40776 exhibited the highest urinary versus cardiac selectivity (199-fold) [1]. SVT-40776 has a much higher binding affinity (K(d) = 0.4 nM) to M5 mAChR than that of solifenacin (K(d) = 31 nM) with the same reeptor. The calculated binding free energy change (-2.3 ± 0.3 kcal/mol) from solifenacin to SVT-40776 is in good agreement with the experimentally derived binding free energy change (-2.58 kcal/mol), suggesting that our modeled M5 mAChR structure and its complexes with the antagonists are reliable [2]. in vivo: In the guinea pig in vivo model, SVT-40776 inhibited 25\% of spontaneous bladder contractions at a very low dose (6.97 microg.kg(-1) i.v), without affecting arterial blood pressure [1].
(1s,2s,3r,4s,7r,9s,10r,12r)-4-(acetyloxy)-1,9,12-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
methyl (2r)-2-[(1s,2r,5r,6r,11r,12r,13r,15s,17s,18r)-17-(acetyloxy)-6-(furan-3-yl)-11,13-dihydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadec-9-en-18-yl]-2-hydroxyacetate
6-[(2r)-2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutyl]-7-hydroxychromen-2-one
[(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
6-[(2r)-2,3-dihydroxy-3-methylbutyl]-7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-2-one
(22e)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
[(2r,3s,4s,5r,6r)-6-{[(3ar,4r,6ar,8s,9ar,9bs)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
[(3ar,4s,9ar,9br)-6-methyl-3-methylidene-2-oxo-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
(1e,6e)-1-{3-[(1s,2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
2',14'-bis(acetyloxy)-8'-chloro-3',10'-dihydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
(1r,7r,12r,14r,16s,17r,20z,22e,24r,28r)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
9-methyl-3,6-dimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
methyl 2-[18-(acetyloxy)-6-(furan-3-yl)-15-hydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate
[(1s,4ar,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2e)-3-(4-methoxyphenyl)prop-2-enoate
(5as,11as,12r)-12-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-5a,10,11a,12-tetrahydro-5,11-dioxatetraphene-3,8,9-triol
(8s)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,21,23,25,27,30(34),32,35-tetradecaene
(2z,4e)-1-[(1r,2r,6s)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
(2r,3r,4s,5s,6s)-2-{[(3as,11as)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
6-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutyl)-7-hydroxychromen-2-one
(2s)-2-{[(2r)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-3-(3h-imidazol-4-yl)propanoic acid
C24H30N8O6S (558.2008920000001)
(8s,9s,10r)-11-(acetyloxy)-3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate
(2z,4e)-1-[(1r,2s,6s)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 7-methoxy-2,2-dimethylchromene-6-carboxylate
11-(acetyloxy)-3,9-dihydroxy-4,5,19-trimethoxy-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
(1r,5s,6r,13s,21r)-5,13-bis(4-hydroxyphenyl)-17-methoxy-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,19,21-tetrol
4,5-dihydroxy-2-({4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
9-hydroxy-10-({10-hydroxy-7-methoxy-3-methyl-1-oxo-3h,4h-naphtho[2,3-c]pyran-9-yl}oxy)-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one
[(2r,3s,4s,5r,6s)-6-(4-benzoyl-3,5-dihydroxy-2-methylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[6-({6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(2r,3s,4r,5r,6r)-6-{[(3as,5r,9ar,9bs)-5-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
(7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone
({[(3r,4s,7s,10s,11r)-3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid
(7s,11s,13s,20r)-3,17,19-trihydroxy-23-[(5-hydroxy-6-methyloxan-2-yl)oxy]-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2,4(16),6(14),17-tetraene-5,9,15-trione
18,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(1e,6e)-1-{3-[(2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
(1r,2r,4r,5r,8s,11r,13s,14s,15r,16s,19s,22s,23r,25s)-2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.1⁵,¹⁴.1⁵,¹⁵.0¹,²³.0⁴,²².0⁸,¹³.0¹¹,¹⁶.0¹⁵,¹⁹]hentriacont-28-ene-9,18,24,31-tetrone
(1r,5r,8s,10s,11s,12r,13s,16r,18s)-13-(acetyloxy)-5,8,18-trihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate
19-hydroxy-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN002190","Ingredient_name": "19-hydroxy-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)O","Ingredient_weight": "558.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9960","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102216735","DrugBank_id": "NA"}
6'''-o-acetylamurensin
{"Ingredient_id": "HBIN012593","Ingredient_name": "6'''-o-acetylamurensin","Alias": "NA","Ingredient_formula": "C28H30O12","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "315","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3as,4r,6as,8s,9as,9bs)-3,6,9-trimethylidene-2-oxo-8-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-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
(3ar,4r,6ar,8s,9ar,9br)-4-[2-(4-hydroxyphenyl)-2-oxoethoxy]-3,6,9-trimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-2-one
(1s,2r,4r,5r,8s,11r,13s,14s,15r,16s,19s,22s,23r,25r)-2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.1⁵,¹⁴.1⁵,¹⁵.0¹,²³.0⁴,²².0⁸,¹³.0¹¹,¹⁶.0¹⁵,¹⁹]hentriacont-28-ene-9,18,24,31-tetrone
(1s,4r,5r,6r,7s,8r,11r,13s,16s,17s,18s,19r)-4,5,8,17-tetrahydroxy-6,14,18-trimethyl-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
methyl (1r,2r,3s,7s,8s,9s,10s,11s)-1-(chloromethyl)-2-hydroxy-8-{[(2z)-2-(hydroxymethyl)but-2-enoyl]oxy}-9-{[(2r)-2-methylbutanoyl]oxy}-6-methylidene-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 7-methoxy-2,2-dimethylchromene-6-carboxylate
(2s,3s,4s,5s,6r)-2-{2,4-dihydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
8-ethylidene-14-hydroxy-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione
(6-{4-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6r)-6-{[(3as,11ar)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(2r,3s,4s,5s,6s)-2-{[(3ar,4s,9ar,9bs)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
1,3,8-tris[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone
[(2r,3s,4s,5r,6r)-6-{[(3as,5r,9ar,9bs)-5-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(1s,3s,5s,7s,10r,14r,16s,19s,21s,22s,23r,26r,27s,30s)-26-hydroxy-8,8,19,21,26-pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²³,²⁷.0²²,³⁰]triacontane-2,12,20,25-tetrone
methyl (2s)-2-[(1s,2r,5s,6s,10s,12s,13r,15s,16r,18s,19s)-18-(acetyloxy)-6-(furan-3-yl)-15-hydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate
2-{[(4e,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6r)-6-{[(3s,3as,9as,9bs)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid
(3ar,4r,6ar,9ar,9br)-9-methyl-3,6-dimethylidene-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
methyl 5,6,7-tris(acetyloxy)-7-[4-chloro-2-hydroxy-2-(oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl]heptanoate
(2s,3s,4r)-2,5,7-trihydroxy-4-{[(2s,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
(1r,3s,7s,10r,15r,17r,18s,21s,22r,23s,25r,29r)-18,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(2e,4z)-1-[2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
(1r,3s,7r,9s,16s,17r,20z,23z)-28-hydroxy-10,16-dimethyl-4,19-dioxo-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,23-trien-9-yl acetate
methyl 2-[1-(acetyloxy)-8-(furan-3-yl)-3-hydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.0²,¹⁴.0³,¹².0⁴,¹⁸.0⁷,¹²]nonadecan-17-yl]-2-hydroxyacetate
15-hydroxy-8-methoxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁴,⁶.0⁶,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacontane-10,16,25,30-tetrone
(8r,10r)-6,8,11-trihydroxy-10-{[(2r,3s,4s,5s,6r)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-1-methoxy-2,8-dimethyl-9,10-dihydro-7h-tetracene-5,12-dione
6-[(3,4-dimethylpentanoyl)oxy]-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 4-hydroxybenzoate
6-{[(3r)-3-(acetyloxy)butanoyl]oxy}-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl benzoate
6-(2,3-dihydroxy-3-methylbutyl)-7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-2-one
(2r,3r)-3,7-bis(acetyloxy)-2-[3,4,5-tris(acetyloxy)phenyl]-3,4-dihydro-2h-1-benzopyran-5-yl acetate
(2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-1-hydroxy-2-{[(2e)-1-hydroxy-4-(4-hydroxy-3-methyl-5-phenyloxolan-2-yl)but-2-en-1-ylidene]amino}propylidene]amino}-2-methylpropanoic acid
C29H35ClN2O7 (558.2132670000001)