Exact Mass: 558.171349
Exact Mass Matches: 558.171349
Found 395 metabolites which its exact mass value is equals to given mass value 558.171349
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Albanol B
Albanol B is a member of benzofurans. Albanol B is a natural product found in Morus lhou, Morus mongolica, and other organisms with data available. Albanol B is found in fruits. Albanol B is a constituent of bark of white mulberry Morus alba (famine food)
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
Alatrofloxacin
C26H25F3N6O5 (558.1838435999999)
Eravacycline
Losulazine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
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
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
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)
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
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 Tyr Asp Phe
Asp Tyr Phe Asp
Asp Tyr Met Met
Phe Asp Asp Tyr
Phe Asp Phe Met
Phe Asp Met Phe
Phe Asp Tyr Asp
Phe Phe Asp Met
Phe Phe Met Asp
Phe Met Asp Phe
Phe Met Phe Asp
Phe Met Met Met
Phe Tyr Asp Asp
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 His Cys Tyr
C24H30N8O6S (558.2008920000001)
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)
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 Phe Asp Asp
Tyr His Cys His
C24H30N8O6S (558.2008920000001)
Tyr His His Cys
C24H30N8O6S (558.2008920000001)
Tyr Met Asp Met
Tyr Met Met Asp
Albanol B
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
Piceatannol 4'-galloylglucoside
Ustiloxin C
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
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
[3-Cyano-5-[[[2,4-dimethyl-5-[6-(3-pyridinyl)-1H-imidazo[1,2-b]pyrazol-1-yl]phenyl]amino]carbonyl]phenyl]pentafluorosulfur
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)
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)
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)
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
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
(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
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
(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
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
(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
[(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
(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
(1s)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene-5,15-diol
(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
(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)