Exact Mass: 546.2312297999999
Exact Mass Matches: 546.2312297999999
Found 500 metabolites which its exact mass value is equals to given mass value 546.2312297999999
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
asukamycin
A polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium Streptomyces nodosus subsp. asukaensis.
Physagulin B
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin B is found in herbs and spices and fruits. Physagulin B is found in fruits. Physagulin B is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Farglitazar
Pentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-
(2S)-2-[(4-Methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid
C25H34N6O6S (546.2260424000001)
PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0), in particular, consists of one chain of one Lipoxin A5 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).
Baccharinoid B 13
Baccharene
Baccharinoid B 12
Baccharinoid B 17
Baccharinoid B 21
16-Hydroxyroridin L2
Baccharinoid B 16
[7R(S),9R,10S]-2,3-Didehydro-7-deoxo-2-deoxy-9,10-epoxy-9,10-dihydro-4-hydroxy-7-(1-hydroxyethyl)verrucarin A
Baccharinoid B 14
[2E,7R(S),8R]-2,3-Didehydro-7-deoxo-2-deoxy-4,8-dihydroxy-7-(1-hydroxyethyl)verrucarin A
methyl nomilinate|Methyl-nomilinat|Nomilinsaeure-methylester
Pyrano[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(beta-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-
10,11-dimethoxy-1-methyl-deacetyl picraline benzoate
2-Ac,3-propanoyl-(2beta,3beta,5beta,11alpha,14beta)-2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide
4,6-dimethyl-5-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]multifidol
Gln Arg Asp Glu
His Tyr Ile Asp
7-(5-formyl-3,6-dihydroxy-7-methoxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,8-dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo
Farglitazar
CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5746; ORIGINAL_PRECURSOR_SCAN_NO 5743 C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5760; ORIGINAL_PRECURSOR_SCAN_NO 5756 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5717; ORIGINAL_PRECURSOR_SCAN_NO 5714 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5752; ORIGINAL_PRECURSOR_SCAN_NO 5748 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5751; ORIGINAL_PRECURSOR_SCAN_NO 5750 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5754; ORIGINAL_PRECURSOR_SCAN_NO 5753 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10453; ORIGINAL_PRECURSOR_SCAN_NO 10449 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10505; ORIGINAL_PRECURSOR_SCAN_NO 10503 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10516; ORIGINAL_PRECURSOR_SCAN_NO 10511 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10552; ORIGINAL_PRECURSOR_SCAN_NO 10548 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10569; ORIGINAL_PRECURSOR_SCAN_NO 10567 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10577; ORIGINAL_PRECURSOR_SCAN_NO 10575
Asp Glu Gln Arg
Asp Glu Arg Gln
Asp His Ile Tyr
Asp His Leu Tyr
Asp His Tyr Ile
Asp His Tyr Leu
Asp Ile His Tyr
Asp Ile Asn Trp
Asp Ile Trp Asn
Asp Ile Tyr His
Asp Leu His Tyr
Asp Leu Asn Trp
Asp Leu Trp Asn
Asp Leu Tyr His
Asp Asn Ile Trp
Asp Asn Leu Trp
Asp Asn Trp Ile
Asp Asn Trp Leu
Asp Gln Glu Arg
Asp Gln Arg Glu
Asp Gln Val Trp
Asp Gln Trp Val
Asp Arg Glu Gln
Asp Arg Gln Glu
Asp Val Gln Trp
Asp Val Trp Gln
Asp Trp Ile Asn
Asp Trp Leu Asn
Asp Trp Asn Ile
Asp Trp Asn Leu
Asp Trp Gln Val
Asp Trp Val Gln
Asp Tyr His Ile
Asp Tyr His Leu
Asp Tyr Ile His
Asp Tyr Leu His
Glu Asp Gln Arg
Glu Asp Arg Gln
Glu Glu Asn Arg
Glu Glu Arg Asn
Glu His Val Tyr
Glu His Tyr Val
Glu Asn Glu Arg
Glu Asn Arg Glu
Glu Asn Val Trp
Glu Asn Trp Val
Glu Gln Asp Arg
Glu Gln Arg Asp
Glu Arg Asp Gln
Glu Arg Glu Asn
Glu Arg Asn Glu
Glu Arg Gln Asp
Glu Val His Tyr
Glu Val Asn Trp
Glu Val Trp Asn
Glu Val Tyr His
Glu Trp Asn Val
Glu Trp Val Asn
Glu Tyr His Val
Glu Tyr Val His
Phe Met Tyr Ser
Phe Ser Met Tyr
Phe Ser Tyr Met
Phe Tyr Met Ser
His Asp Ile Tyr
His Asp Leu Tyr
His Asp Tyr Ile
His Asp Tyr Leu
His Glu Val Tyr
His Glu Tyr Val
His Ile Asp Tyr
His Ile Tyr Asp
His Leu Asp Tyr
His Leu Tyr Asp
His Met Pro Tyr
C25H34N6O6S (546.2260424000001)
His Met Tyr Pro
C25H34N6O6S (546.2260424000001)
His Asn Asn Tyr
His Asn Tyr Asn
His Pro Met Tyr
C25H34N6O6S (546.2260424000001)
His Pro Tyr Met
C25H34N6O6S (546.2260424000001)
His Val Glu Tyr
His Val Tyr Glu
His Tyr Asp Ile
His Tyr Asp Leu
His Tyr Glu Val
His Tyr Leu Asp
His Tyr Met Pro
C25H34N6O6S (546.2260424000001)
His Tyr Asn Asn
His Tyr Pro Met
C25H34N6O6S (546.2260424000001)
His Tyr Val Glu
Ile Asp His Tyr
Ile Asp Asn Trp
Ile Asp Trp Asn
Ile Asp Tyr His
Ile His Asp Tyr
Ile His Tyr Asp
Ile Asn Asp Trp
Ile Asn Trp Asp
Ile Trp Asp Asn
Ile Trp Asn Asp
Ile Tyr Asp His
Ile Tyr His Asp
Leu Asp His Tyr
Leu Asp Asn Trp
Leu Asp Trp Asn
Leu Asp Tyr His
Leu His Asp Tyr
Leu His Tyr Asp
Leu Asn Asp Trp
Leu Asn Trp Asp
Leu Trp Asp Asn
Leu Trp Asn Asp
Leu Tyr Asp His
Leu Tyr His Asp
Met Ala Tyr Tyr
Met Phe Ser Tyr
Met His Pro Tyr
C25H34N6O6S (546.2260424000001)
Met His Tyr Pro
C25H34N6O6S (546.2260424000001)
Met Asn Pro Trp
C25H34N6O6S (546.2260424000001)
Met Asn Trp Pro
C25H34N6O6S (546.2260424000001)
Met Pro His Tyr
C25H34N6O6S (546.2260424000001)
Met Pro Asn Trp
C25H34N6O6S (546.2260424000001)
Met Pro Trp Asn
C25H34N6O6S (546.2260424000001)
Met Pro Tyr His
C25H34N6O6S (546.2260424000001)
Met Trp Asn Pro
C25H34N6O6S (546.2260424000001)
Met Trp Pro Asn
C25H34N6O6S (546.2260424000001)
Met Tyr His Pro
C25H34N6O6S (546.2260424000001)
Met Tyr Pro His
C25H34N6O6S (546.2260424000001)
Asn Asp Ile Trp
Asn Asp Leu Trp
Asn Asp Trp Ile
Asn Asp Trp Leu
Asn Glu Glu Arg
Asn Glu Arg Glu
Asn Glu Val Trp
Asn Glu Trp Val
Asn His Asn Tyr
Asn His Tyr Asn
Asn Ile Asp Trp
Asn Ile Trp Asp
Asn Leu Asp Trp
Asn Leu Trp Asp
Asn Met Pro Trp
C25H34N6O6S (546.2260424000001)
Asn Met Trp Pro
C25H34N6O6S (546.2260424000001)
Asn Asn His Tyr
Asn Asn Asn Trp
Asn Asn Trp Asn
Asn Asn Tyr His
Asn Pro Met Trp
C25H34N6O6S (546.2260424000001)
Asn Pro Trp Met
C25H34N6O6S (546.2260424000001)
Asn Arg Glu Glu
Asn Val Glu Trp
Asn Val Trp Glu
Asn Trp Asp Ile
Asn Trp Asp Leu
Asn Trp Glu Val
Asn Trp Ile Asp
Asn Trp Leu Asp
Asn Trp Met Pro
C25H34N6O6S (546.2260424000001)
Asn Trp Asn Asn
Asn Trp Pro Met
C25H34N6O6S (546.2260424000001)
Asn Trp Val Glu
Asn Tyr His Asn
Asn Tyr Asn His
Pro His Met Tyr
C25H34N6O6S (546.2260424000001)
Pro His Tyr Met
C25H34N6O6S (546.2260424000001)
Pro Met His Tyr
C25H34N6O6S (546.2260424000001)
Pro Met Asn Trp
C25H34N6O6S (546.2260424000001)
Pro Met Trp Asn
C25H34N6O6S (546.2260424000001)
Pro Met Tyr His
C25H34N6O6S (546.2260424000001)
Pro Asn Met Trp
C25H34N6O6S (546.2260424000001)
Pro Asn Trp Met
C25H34N6O6S (546.2260424000001)
Pro Trp Met Asn
C25H34N6O6S (546.2260424000001)
Pro Trp Asn Met
C25H34N6O6S (546.2260424000001)
Pro Tyr His Met
C25H34N6O6S (546.2260424000001)
Pro Tyr Met His
C25H34N6O6S (546.2260424000001)
Gln Asp Glu Arg
Gln Asp Arg Glu
Gln Asp Val Trp
Gln Asp Trp Val
Gln Glu Asp Arg
Gln Glu Arg Asp
Gln Arg Glu Asp
Gln Val Asp Trp
Gln Val Trp Asp
Gln Trp Asp Val
Gln Trp Val Asp
Arg Asp Glu Gln
Arg Asp Gln Glu
Arg Glu Asp Gln
Arg Glu Glu Asn
Arg Glu Asn Glu
Arg Glu Gln Asp
Arg Asn Glu Glu
Arg Gln Asp Glu
Arg Gln Glu Asp
Thr Thr Tyr Tyr
Thr Tyr Thr Tyr
Thr Tyr Tyr Thr
Val Asp Gln Trp
Val Asp Trp Gln
Val Glu His Tyr
Val Glu Asn Trp
Val Glu Trp Asn
Val Glu Tyr His
Val His Glu Tyr
Val His Tyr Glu
Val Asn Glu Trp
Val Asn Trp Glu
Val Gln Asp Trp
Val Gln Trp Asp
Val Trp Asp Gln
Val Trp Glu Asn
Val Trp Asn Glu
Val Trp Gln Asp
Val Tyr Glu His
Val Tyr His Glu
Trp Asp Ile Asn
Trp Asp Leu Asn
Trp Asp Asn Ile
Trp Asp Asn Leu
Trp Asp Gln Val
Trp Asp Val Gln
Trp Glu Asn Val
Trp Glu Val Asn
Trp Ile Asp Asn
Trp Ile Asn Asp
Trp Leu Asp Asn
Trp Leu Asn Asp
Trp Met Asn Pro
C25H34N6O6S (546.2260424000001)
Trp Met Pro Asn
C25H34N6O6S (546.2260424000001)
Trp Asn Asp Ile
Trp Asn Asp Leu
Trp Asn Glu Val
Trp Asn Ile Asp
Trp Asn Leu Asp
Trp Asn Met Pro
C25H34N6O6S (546.2260424000001)
Trp Asn Asn Asn
Trp Asn Pro Met
C25H34N6O6S (546.2260424000001)
Trp Asn Val Glu
Trp Pro Met Asn
C25H34N6O6S (546.2260424000001)
Trp Pro Asn Met
C25H34N6O6S (546.2260424000001)
Trp Gln Asp Val
Trp Gln Val Asp
Trp Val Asp Gln
Trp Val Glu Asn
Trp Val Asn Glu
Trp Val Gln Asp
Tyr Asp His Ile
Tyr Asp His Leu
Tyr Asp Ile His
Tyr Asp Leu His
Tyr Glu His Val
Tyr Glu Val His
Tyr His Asp Ile
Tyr His Asp Leu
Tyr His Glu Val
Tyr His Ile Asp
Tyr His Leu Asp
Tyr His Met Pro
C25H34N6O6S (546.2260424000001)
Tyr His Asn Asn
Tyr His Pro Met
C25H34N6O6S (546.2260424000001)
Tyr His Val Glu
Tyr Ile Asp His
Tyr Ile His Asp
Tyr Leu Asp His
Tyr Leu His Asp
Tyr Met His Pro
C25H34N6O6S (546.2260424000001)
Tyr Met Pro His
C25H34N6O6S (546.2260424000001)
Tyr Asn His Asn
Tyr Asn Asn His
Tyr Pro His Met
C25H34N6O6S (546.2260424000001)
Tyr Pro Met His
C25H34N6O6S (546.2260424000001)
Tyr Ser Phe Met
Tyr Thr Thr Tyr
Tyr Thr Tyr Thr
Tyr Val Glu His
Tyr Val His Glu
Tyr Tyr Thr Thr
Physagulin B
Physagulin B
Linerixibat
C78276 - Agent Affecting Digestive System or Metabolism > C177170 - Ileal Bile Acid Transport Inhibitor
7-(8-Formyl-1,7-dihydroxy-5-isopropyl-6-methoxy-3-methyl-2-naphthyl)-2,8-dihydroxy-4-isopropyl-3-methoxy-6-methyl-naphthalene-1-carbaldehyde
Pentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
(4R,5R)-2-benzoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-3-spiro[1,5-dihydro-2-benzazepine-4,4-5H-oxazole]one
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
methyl (1R,3S,12S,15S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate
methyl (1R,3S,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate
methyl (1R,3S,11R,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate
9,10,17,22-tetrahydroxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-16-one
(1s,4as,6s,7s,7as)-4-({[(2r,3r,4s,5r,6r)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-6,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl (2r)-2-methylbutanoate
(21s)-13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25,27,30(34),32,35-tridecaene
(2r,3s)-4-[(6as)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6,8-dioxofuro[2,3-h]isochromen-9-yl]-3-methyl-4-oxobutan-2-yl (2r)-2-methoxy-2-phenylacetate
methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate
methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
(3s)-5-[(3s)-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol
(1's,2s,2'r,7'r,9'r,11'r)-2',5'-bis(hydroxymethyl)-1'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl (2z,4e,6s,7s)-7-hydroxy-6-[2-(5-oxo-2h-furan-3-yl)ethoxy]octa-2,4-dienoate
(2r)-1-(2,4-dihydroxy-3,5-dimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-2-methylbutan-1-one
[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate
10-(acetyloxy)-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-5-en-8-yl benzoate
9,10,16,22-tetrahydroxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-17-one
(1s,4as,6s,7s,7as)-6-(acetyloxy)-4-({[(2r,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(1s,2s,4s,6r,7s,13r,14r,16r,17s)-16-(acetyloxy)-2,6,14,17-tetramethyl-3,11-dioxo-14-[(3s)-5-oxooxolane-3-carbonyl]-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-4-yl acetate
(2r,3s)-4-[(6as)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6,8-dioxofuro[2,3-h]isochromen-9-yl]-3-methyl-4-oxobutan-2-yl (2s)-2-methoxy-2-phenylacetate
(9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl (2e)-3-phenylprop-2-enoate
1,2-dehydroapateline
{"Ingredient_id": "HBIN000777","Ingredient_name": "1,2-dehydroapateline","Alias": "NA","Ingredient_formula": "C34H30N2O5","Ingredient_Smile": "CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7=NCCC8=CC(=C(O4)C=C87)O3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4876","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-dihydrocadambine
{"Ingredient_id": "HBIN007940","Ingredient_name": "3\u03b1-dihydrocadambine","Alias": "3alpha-dihydrocadambine","Ingredient_formula": "C27H34N2O10","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C4=C(CCN3CC2O)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "546.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15059;SMIT18381","TCMID_id": "23513;5549","TCMSP_id": "NA","TCM_ID_id": "8185","PubChem_id": "162138","DrugBank_id": "NA"}
3-beta-isodihydrocadambine
{"Ingredient_id": "HBIN008273","Ingredient_name": "3-beta-isodihydrocadambine","Alias": "3beta-isodihydrocadambine; 3\u03b2-isodihydrocadambine","Ingredient_formula": "C27H34N2O10","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C4=C(CCN3C2CO)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "546.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18369;SMIT16026","TCMID_id": "23461;31346;11374","TCMSP_id": "NA","TCM_ID_id": "8174","PubChem_id": "188431","DrugBank_id": "NA"}
7,13-dideaceyl-9,10-debenzoyltaxchinin c
{"Ingredient_id": "HBIN012869","Ingredient_name": "7,13-dideaceyl-9,10-debenzoyltaxchinin c","Alias": "NA","Ingredient_formula": "C29H38O10","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5459","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}