Exact Mass: 552.257049
Exact Mass Matches: 552.257049
Found 500 metabolites which its exact mass value is equals to given mass value 552.257049
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Handelin
Handelin is a sesterterpenoid. [(1R,2R,3R,3aR,4S,5S,6R,6aR,9S,9aR,9bR,10S,11R)-2,6-dihydroxy-2,6,9,11-tetramethyl-6-methylidene-2,7-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate is a natural product found in Tanacetum vulgare, Chrysanthemum lavandulifolium, and other organisms with data available. Handelin is a guaianolide dimer from Chrysanthemum boreale that has potent anti-inflammatory activity by down-regulating NF-κB signaling and pro-inflammatory cytokine production[1]. Handelin is a guaianolide dimer from Chrysanthemum boreale that has potent anti-inflammatory activity by down-regulating NF-κB signaling and pro-inflammatory cytokine production[1].
B-Raf inhibitor
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
PA(2:0/PGF1alpha)
C25H45O11P (552.2699349999999)
PA(2:0/PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/PGF1alpha), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin F1alpha at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(PGF1alpha/2:0)
C25H45O11P (552.2699349999999)
PA(PGF1alpha/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(PGF1alpha/2:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
Euhorbiasteroid
Euphorbiasteroid is a natural product found in Macaranga tanarius and Euphorbia lathyris with data available.
EFL1 diterpene
Euphorbia
11-O-trans-Cinnamoyl-12-O-acetyl-17alphaH-marsdenin
6beta-acetoxy-8alpha,9alpha-dibenzoyloxy-1alpha,2alpha-dihydroxydihydro-beta-agarofuran|Angulatuenoid G|Angulatueoid G|Triptogelin A-3
(1R,2S,3S,4S;5R,7R,9S,10R)-2beta-acetoxy-1alpha,9beta-dibenzoyloxy-3beta,4beta-dihydroxydihydro-(15alpha)-beta-agarofuran
(5R*,7S*,8S*,9S*,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-16,15-olide-18-oate
16beta-hydroxy-heteroclitalactone H|heteroclitalactone I
(5R*,7S*,8S*,9S*,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-15,16-olide-18-oate
(+)-4,4-O-diangeloylmedioresinol|2,6-dimethoxy-4-[(1S,3aR,4S,6aR)-4-(3-methoxy-4-{[(2Z)-2-methylbut-2-enoyl]oxy}phenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenyl (2Z)-2-methylbut-2-enoate
Benzyl glycoside,3,4-dibenzyl-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose
2-O-pentadecanoyl-2-hydroxy-8-methoxy-6,7-methylenedioxyisoflavone|aervin D
3,4,5-trihydroxydrhydro-alpha-ionol-9-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
Glu Tyr Ile Glu
Glu Tyr Asn Lys
Cys Phe Gln Arg
Cys Phe Arg Gln
Cys Gln Phe Arg
Cys Gln Arg Phe
Cys Arg Phe Gln
Cys Arg Gln Phe
Asp Lys Gln Tyr
Asp Lys Tyr Gln
Asp Gln Lys Tyr
Asp Gln Tyr Lys
Asp Tyr Lys Gln
Asp Tyr Gln Lys
Glu Glu Ile Tyr
Glu Glu Leu Tyr
Glu Glu Tyr Ile
Glu Glu Tyr Leu
Glu Ile Glu Tyr
Glu Ile Tyr Glu
Glu Lys Asn Tyr
Glu Lys Tyr Asn
Glu Leu Glu Tyr
Glu Leu Tyr Glu
Glu Asn Lys Tyr
Glu Asn Tyr Lys
Glu Tyr Glu Ile
Glu Tyr Glu Leu
Glu Tyr Lys Asn
Glu Tyr Leu Glu
Phe Cys Gln Arg
Phe Cys Arg Gln
Phe His His Ile
Phe His His Leu
Phe His Ile His
Phe His Leu His
Phe Ile His His
Phe Lys Met Gln
Phe Lys Gln Met
Phe Leu His His
Phe Met Lys Gln
Phe Met Gln Lys
Phe Met Gln Gln
Phe Gln Cys Arg
Phe Gln Lys Met
Phe Gln Met Lys
Phe Gln Met Gln
Phe Gln Gln Met
Phe Gln Arg Cys
Phe Arg Cys Gln
Phe Arg Gln Cys
Gly Lys Trp Tyr
C28H36N6O6 (552.2696195999999)
Gly Lys Tyr Trp
C28H36N6O6 (552.2696195999999)
Gly Trp Lys Tyr
C28H36N6O6 (552.2696195999999)
Gly Trp Tyr Lys
C28H36N6O6 (552.2696195999999)
Gly Tyr Lys Trp
C28H36N6O6 (552.2696195999999)
Gly Tyr Trp Lys
C28H36N6O6 (552.2696195999999)
His Phe His Ile
His His Pro Tyr
C26H32N8O6 (552.2444691999999)
His His Tyr Pro
C26H32N8O6 (552.2444691999999)
His Asn Pro Trp
C26H32N8O6 (552.2444691999999)
His Asn Trp Pro
C26H32N8O6 (552.2444691999999)
His Pro His Tyr
C26H32N8O6 (552.2444691999999)
His Pro Asn Trp
C26H32N8O6 (552.2444691999999)
His Pro Trp Asn
C26H32N8O6 (552.2444691999999)
His Pro Tyr His
C26H32N8O6 (552.2444691999999)
His Trp Asn Pro
C26H32N8O6 (552.2444691999999)
His Trp Pro Asn
C26H32N8O6 (552.2444691999999)
His Tyr His Pro
C26H32N8O6 (552.2444691999999)
His Tyr Pro His
C26H32N8O6 (552.2444691999999)
Ile Glu Glu Tyr
Ile Glu Tyr Glu
Ile Tyr Glu Glu
Lys Asp Gln Tyr
Lys Asp Tyr Gln
Lys Glu Asn Tyr
Lys Glu Tyr Asn
Lys Phe Met Gln
Lys Phe Gln Met
Lys Gly Trp Tyr
C28H36N6O6 (552.2696195999999)
Lys Gly Tyr Trp
C28H36N6O6 (552.2696195999999)
Lys Met Phe Gln
Lys Met Gln Phe
Lys Asn Glu Tyr
Lys Asn Tyr Glu
Lys Gln Asp Tyr
Lys Gln Phe Met
Lys Gln Met Phe
Lys Gln Tyr Asp
Lys Trp Gly Tyr
C28H36N6O6 (552.2696195999999)
Lys Trp Tyr Gly
C28H36N6O6 (552.2696195999999)
Lys Tyr Asp Gln
Lys Tyr Glu Asn
Lys Tyr Gly Trp
C28H36N6O6 (552.2696195999999)
Lys Tyr Asn Glu
Lys Tyr Gln Asp
Lys Tyr Trp Gly
C28H36N6O6 (552.2696195999999)
Leu Glu Glu Tyr
Leu Glu Tyr Glu
Leu Tyr Glu Glu
Met Phe Lys Gln
Met Phe Gln Lys
Met Phe Gln Gln
Met Lys Phe Gln
Met Lys Gln Phe
Met Gln Phe Lys
Met Gln Phe Gln
Met Gln Lys Phe
Met Gln Gln Phe
Asn Glu Lys Tyr
Asn Glu Tyr Lys
Asn His Pro Trp
C26H32N8O6 (552.2444691999999)
Asn His Trp Pro
C26H32N8O6 (552.2444691999999)
Asn Lys Glu Tyr
Asn Lys Tyr Glu
Asn Pro His Trp
C26H32N8O6 (552.2444691999999)
Asn Pro Trp His
C26H32N8O6 (552.2444691999999)
Asn Arg Thr Tyr
Asn Arg Tyr Thr
Asn Thr Arg Tyr
Asn Thr Tyr Arg
Asn Trp His Pro
C26H32N8O6 (552.2444691999999)
Asn Trp Pro His
C26H32N8O6 (552.2444691999999)
Asn Tyr Glu Lys
Asn Tyr Lys Glu
Asn Tyr Arg Thr
Asn Tyr Thr Arg
Pro His His Tyr
C26H32N8O6 (552.2444691999999)
Pro His Asn Trp
C26H32N8O6 (552.2444691999999)
Pro His Trp Asn
C26H32N8O6 (552.2444691999999)
Pro His Tyr His
C26H32N8O6 (552.2444691999999)
Pro Asn His Trp
C26H32N8O6 (552.2444691999999)
Pro Asn Trp His
C26H32N8O6 (552.2444691999999)
Pro Trp His Asn
C26H32N8O6 (552.2444691999999)
Pro Trp Asn His
C26H32N8O6 (552.2444691999999)
Pro Tyr His His
C26H32N8O6 (552.2444691999999)
Gln Cys Phe Arg
Gln Cys Arg Phe
Gln Asp Lys Tyr
Gln Asp Tyr Lys
Gln Phe Cys Arg
Gln Phe Lys Met
Gln Phe Met Lys
Gln Phe Met Gln
Gln Phe Gln Met
Gln Phe Arg Cys
Gln Lys Asp Tyr
Gln Lys Phe Met
Gln Lys Met Phe
Gln Lys Tyr Asp
Gln Met Phe Lys
Gln Met Phe Gln
Gln Met Lys Phe
Gln Met Gln Phe
Gln Gln Phe Met
Gln Gln Met Phe
Gln Arg Cys Phe
Gln Arg Phe Cys
Gln Arg Ser Tyr
Gln Arg Tyr Ser
Gln Ser Arg Tyr
Gln Ser Tyr Arg
Gln Tyr Asp Lys
Gln Tyr Lys Asp
Gln Tyr Arg Ser
Gln Tyr Ser Arg
Arg Cys Phe Gln
Arg Cys Gln Phe
Arg Phe Cys Gln
Arg Phe Gln Cys
Arg Asn Thr Tyr
Arg Asn Tyr Thr
Arg Gln Cys Phe
Arg Gln Phe Cys
Arg Gln Ser Tyr
Arg Gln Tyr Ser
Arg Ser Gln Tyr
Arg Ser Tyr Gln
Arg Thr Asn Tyr
Arg Thr Tyr Asn
Arg Tyr Asn Thr
Arg Tyr Gln Ser
Arg Tyr Ser Gln
Arg Tyr Thr Asn
Ser Gln Arg Tyr
Ser Gln Tyr Arg
Ser Arg Gln Tyr
Ser Arg Tyr Gln
Ser Tyr Gln Arg
Ser Tyr Arg Gln
Thr Asn Arg Tyr
Thr Asn Tyr Arg
Thr Arg Asn Tyr
Thr Arg Tyr Asn
Thr Tyr Asn Arg
Thr Tyr Arg Asn
Trp Gly Lys Tyr
C28H36N6O6 (552.2696195999999)
Trp Gly Tyr Lys
C28H36N6O6 (552.2696195999999)
Trp His Asn Pro
C26H32N8O6 (552.2444691999999)
Trp His Pro Asn
C26H32N8O6 (552.2444691999999)
Trp Lys Gly Tyr
C28H36N6O6 (552.2696195999999)
Trp Lys Tyr Gly
C28H36N6O6 (552.2696195999999)
Trp Asn His Pro
C26H32N8O6 (552.2444691999999)
Trp Asn Pro His
C26H32N8O6 (552.2444691999999)
Trp Pro His Asn
C26H32N8O6 (552.2444691999999)
Trp Pro Asn His
C26H32N8O6 (552.2444691999999)
Trp Tyr Gly Lys
C28H36N6O6 (552.2696195999999)
Trp Tyr Lys Gly
C28H36N6O6 (552.2696195999999)
Tyr Asp Lys Gln
Tyr Asp Gln Lys
Tyr Glu Glu Ile
Tyr Glu Glu Leu
Tyr Glu Ile Glu
Tyr Glu Lys Asn
Tyr Glu Leu Glu
Tyr Glu Asn Lys
Tyr Gly Lys Trp
C28H36N6O6 (552.2696195999999)
Tyr Gly Trp Lys
C28H36N6O6 (552.2696195999999)
Tyr His His Pro
C26H32N8O6 (552.2444691999999)
Tyr His Pro His
C26H32N8O6 (552.2444691999999)
Tyr Ile Glu Glu
Tyr Lys Asp Gln
Tyr Lys Glu Asn
Tyr Lys Gly Trp
C28H36N6O6 (552.2696195999999)
Tyr Lys Asn Glu
Tyr Lys Gln Asp
Tyr Lys Trp Gly
C28H36N6O6 (552.2696195999999)
Tyr Leu Glu Glu
Tyr Asn Glu Lys
Tyr Asn Lys Glu
Tyr Asn Arg Thr
Tyr Asn Thr Arg
Tyr Pro His His
C26H32N8O6 (552.2444691999999)
Tyr Gln Asp Lys
Tyr Gln Lys Asp
Tyr Gln Arg Ser
Tyr Gln Ser Arg
Tyr Arg Asn Thr
Tyr Arg Gln Ser
Tyr Arg Ser Gln
Tyr Arg Thr Asn
Tyr Ser Gln Arg
Tyr Ser Arg Gln
Tyr Thr Asn Arg
Tyr Thr Arg Asn
Tyr Trp Gly Lys
C28H36N6O6 (552.2696195999999)
Tyr Trp Lys Gly
C28H36N6O6 (552.2696195999999)
Emetine hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D005765 - Gastrointestinal Agents > D002400 - Cathartics D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents C784 - Protein Synthesis Inhibitor
1-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl]-2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazole
TETRAETHYL 1,1-(1,4-PHENYLENE)BIS(2,5-DIMETHYL-1H-PYRROLE-3,4-DICARBOXYLATE)
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
1,1-Hexadecane-1,16-diylbis(1-methylpyrrolidinium) dibromide
Sucrose 2-acetyl-3-(2-methyl)butyryl-3-isovalerate
3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(5R,6S,9R)-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]benzenesulfonamide
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(5R,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]benzenesulfonamide
N-[(5S,6S,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]benzenesulfonamide
N-[(5S,6S,9R)-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]benzenesulfonamide
N-[(5S,6R,9R)-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]benzenesulfonamide
N-[(5R,6R,9R)-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]benzenesulfonamide
N-[(5R,6S,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]benzenesulfonamide
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]benzenesulfonamide
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
2-[(2R,9S,12R,13R,15S)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetic acid
(1s,2r,5s,6s,9s,11r,12s,13s,15r)-6-(furan-3-yl)-5,12,16,16-tetramethyl-8,14,21-trioxo-7,10,17-trioxahexacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹¹.0⁹,¹¹]henicos-19-en-13-yl 3-methylbutanoate
(2'r,5r,6s,9's,9bs)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-4,5,6a,7,9a,9b-hexahydro-3ah-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadecan]-14'-en-5-yl acetate
(1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol
(1s,2r,6s,9r,12r)-12-(acetyloxy)-7-(benzoyloxy)-4,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(8s,9s,10s)-9-hydroxy-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate
(6-{[4-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,2s,3e,5s,7s,8e,10r,13s)-5,9,10-tris(acetyloxy)-2,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(1'r,2r,3'e,5'r,7's,11's,12'r,13's,14's)-1',11'-bis(acetyloxy)-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-13'-yl 2-phenylacetate
(1r,2r,3s,4r,5r,7s,8s,9s,12z,14s,17r)-7,9-bis(acetyloxy)-2,4-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(2s,3r,4r,5r,6r)-2-methyl-6-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3e)-4-[(1s,2s,4s)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-yl]oxy}oxan-2-yl]methoxy}oxane-3,4,5-triol
(1s,3r,5s,6s,15r,18e,21s,23s)-5,10-dihydroxy-6,12,17,17,21,27-hexamethyl-7,22,24,28-tetraoxahexacyclo[21.4.3.0¹,²³.0³,²¹.0⁶,¹⁵.0⁸,¹³]triaconta-8,10,12,18,26-pentaene-25,29-dione
ethyl 4-[(1s,7s,13r,15r)-3-hydroxy-5-oxo-7-phenyl-13-[(1e)-2-phenylethenyl]-8,14-dioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate
(1r,2r,5s,6s,9s,11r,12s,13s,14r,17r,22s)-6-(furan-3-yl)-1,5,12,17-tetramethyl-8,19-dioxo-7,10,15,18-tetraoxahexacyclo[12.7.1.0²,¹².0⁵,¹¹.0⁹,¹¹.0¹⁷,²²]docos-20-en-13-yl (2e)-2-methylbut-2-enoate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-(acetyloxy)-5,6,8a-trimethyl-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
6,10-bis(acetyloxy)-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl benzoate
17-hydroxy-12-methyl-7-oxo-17-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-5-en-18-yl acetate
(1s,2s,4s,5r,6r,7s,9r,12r)-4-(acetyloxy)-5-(benzoyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1's,2s,2's,4'r,9's,11'e,15'r)-2',20'-dihydroxy-1',3,9',13',13',18'-hexamethyl-5-oxo-8',23'-dioxaspiro[furan-2,6'-tetracyclo[13.8.0.0⁴,⁹.0¹⁷,²²]tricosane]-11',17',19',21'-tetraen-7'-ylideneacetic acid
(1s,2s,3e,5r,7s,8z,10r,13s)-2,9,10-tris(acetyloxy)-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
4,15-dimethoxy-2,6,14,17-tetramethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-diene-3,16-dione
(1s,2r,3s,4s,5r,7s,8s,9r,12z,14s,17r)-2,7-bis(acetyloxy)-4,5-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-9-yl butanoate
12-(acetyloxy)-7-(benzoyloxy)-4,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
2-{[5,7-dihydroxy-2,2-dimethyl-6-(2-methylpropanoyl)chromen-8-yl]methyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)-6-(2-methylpropanoyl)cyclohexa-2,5-dien-1-one
4-{[5,7-dihydroxy-2,2-dimethyl-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
(2r,3z,5s,7s,8e,10s,11r,13s)-2,3,10-tris(acetyloxy)-7,13-dihydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate
(9r,13s,15s,16r,17r,18s)-15-hydroxy-16-[(1r)-1-hydroxy-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4,10-tetraen-18-yl acetate
1-(3,4-dimethoxyphenyl)-2-{4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}propan-1-ol
13-deacetylcanadensene
{"Ingredient_id": "HBIN001161","Ingredient_name": "13-deacetylcanadensene","Alias": "NA","Ingredient_formula": "C28H40O11","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1O)OC(=O)C)CO)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4734","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-deacetyltaxachitriene b
{"Ingredient_id": "HBIN011505","Ingredient_name": "5-deacetyltaxachitriene b","Alias": "NA","Ingredient_formula": "C28H40O11","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)O)CO)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4776","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101702748","DrugBank_id": "NA"}
7-Deacetylcanadensene
{"Ingredient_id": "HBIN013143","Ingredient_name": "7-Deacetylcanadensene","Alias": "[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] acetate; [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetyloxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ethanoate; acetic acid [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-8,12,15,15-tetramethyl-4-methylol-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ester; acetic acid [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ester; 7-deacetylcanadensene; [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetyloxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] acetate","Ingredient_formula": "C28H40O11","Ingredient_Smile": "CC1=C(C(C2=C(C(CC(C2(C)C)C(C=C(C(CC1O)O)CO)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "552.61","OB_score": "7.53251491","CAS_id": "222404-07-1","SymMap_id": "SMIT01201","TCMID_id": "4733","TCMSP_id": "MOL011386","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-isovaleroylcycloepiatalantin
{"Ingredient_id": "HBIN013302","Ingredient_name": "7-isovaleroylcycloepiatalantin","Alias": "NA","Ingredient_formula": "C31H36O9","Ingredient_Smile": "CC(C)CC(=O)OC1C(=O)C23C(=O)C=CC2(COC3(C)C)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101135531","DrugBank_id": "NA"}
Benzoylgomisin Q
{"Ingredient_id": "HBIN017816","Ingredient_name": "Benzoylgomisin Q","Alias": "benzoylgomisin q","Ingredient_formula": "C31H36O9","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1(C)O)OC(=O)C4=CC=CC=C4)OC)OC)OC)OC)OC)OC","Ingredient_weight": "552.6 g/mol","OB_score": "7.504296759","CAS_id": "NA","SymMap_id": "SMIT10162","TCMID_id": "2242","TCMSP_id": "MOL008963","TCM_ID_id": "NA","PubChem_id": "14605164","DrugBank_id": "NA"}