Exact Mass: 546.2155

asukamycin

C31H34N2O7 (546.2366)

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.

ERASTIN

C30H31ClN4O4 (546.2034)

Physagulin B

C30H39ClO7 (546.2384)

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

C34H30N2O5 (546.2155)

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)-

C28H38N2O7S (546.24)

Tryptoquivaline

C29H30N4O7 (546.2114)

(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 (546.226)

PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C25H39O11P (546.223)

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)

C25H39O11P (546.223)

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).

MLS000863642

C29H30N4O7 (546.2114)

(+)-1,2-Dehydro-2-nortelobine

C34H30N2O5 (546.2155)

Physalin T

C28H34O11 (546.2101)

[3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one

C28H34O11 (546.2101)

3alpha-dihydrocadambine

C27H34N2O10 (546.2213)

1,2-Dehydroapateline

C34H30N2O5 (546.2155)

ES-242-6

C32H34O8 (546.2254)

Sinensol H

C35H30O6 (546.2042)

Brachycerine

C27H34N2O10 (546.2213)

Vittarin-E

C32H34O8 (546.2254)

3-O-acetylanthothecanolide

C28H34O11 (546.2101)

Cucurbitoside J

C25H38O13 (546.2312)

3beta-Isodihydrocadambine

C27H34N2O10 (546.2213)

Gaudispirolactone

C32H34O8 (546.2254)

(2E)-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Maysin|Maysin (5)|maysine

C28H35ClN2O7 (546.2133)

C25H38O13

C25H38O13 (546.2312)

citrusin

C28H34O11 (546.2101)

3,4-Dihydroxyrottlerin

C31H30O9 (546.189)

Lehmbachol A

C31H30O9 (546.189)

Viburnalloside

C25H38O13 (546.2312)

DEHYDROBRUCEANTIN

C28H34O11 (546.2101)

erythro-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate|threo-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate

C28H34O11 (546.2101)

viburtinoside I

C25H38O13 (546.2312)

3beta-Isodihydrocadambin

C27H34N2O10 (546.2213)

Benzyl glycoside,6-O-benzylidene,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose

C28H34O11 (546.2101)

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)-

C27H34N2O10 (546.2213)

Alstolenine

C31H34N2O7 (546.2366)

10,11-dimethoxy-1-methyl-deacetyl picraline benzoate

C31H34N2O7 (546.2366)

lysidicin H

C28H34O11 (546.2101)

(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1-hydroxy-2,6,15-triacetoxy-8-oxo-dihydro-beta-agarofuran

C28H34O11 (546.2101)

Dihydrocadambin

C27H34N2O10 (546.2213)

kadsuphilin A

C32H34O8 (546.2254)

C32H34O8

C32H34O8 (546.2254)

Esmeraldic acid dimethyl ester

C32H26N4O5 (546.1903)

1-O-deacetyl-2alpha-methoxylkhayanolide E|khayseneganin G

C28H34O11 (546.2101)

C24H34O14

C24H34O14 (546.1948)

4,C4-dihydro-4-hydroxy-8-oxo-beta-agarofuran-1alpha,2alpha,6beta,9alpha-tetrayl 1alpha,2alpha,6beta-triacetate 9alpha-benzoate

C28H34O11 (546.2101)

O-De-Me,tri-Ac-Cycloartocarpin

C31H30O9 (546.189)

C21H38O16

C21H38O16 (546.216)

morellic acid

C32H34O8 (546.2254)

Tri-Ac-Auriculasin

C31H30O9 (546.189)

(2S)-1-acetoxy-4t-[2-((S)-1-hydroxy-2-methyl-propyl)-4-oxo-4H-quinazolin-3-yl]-2,2-dimethyl-(2rC8a,9rO,9at)-3,4,1,9a-tetrahydro-2H-spiro[furan-2,9-imidazo[1,2-a]indole]-5,3-dione|Isotryptoquivalin|Isotryptoquivaline|Tryptoquivalin C

C29H30N4O7 (546.2114)

bistartamide E|bistratamide E

C25H34N6O4S2 (546.2083)

cinnamrutinose B

C28H34O11 (546.2101)

4,6-dimethyl-5-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]multifidol

C25H38O13 (546.2312)

7-O-(5-phenyl-2,4-pentadienoyl)-8-epiloganin

C28H34O11 (546.2101)

(3,4,5-Trimethoxybenzoyl)quebrachidine

C31H34N2O7 (546.2366)

NSC655651

C32H34O8 (546.2254)

Glu Gly Asn Ile Asp

C21H34N6O11 (546.2285)

His Phe Glu Asp

C24H30N6O9 (546.2074)

Gln Arg Asp Glu

C20H34N8O10 (546.2398)

Phe Glu His Asp

C24H30N6O9 (546.2074)

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

C32H34O8 (546.2254)

N, N, N-Di-p-hydroxybenxoyl, feruloylagmatine

C29H30N4O7 (546.2114)

Cymoside - CASMI2016 Category 1 - Challenge 5

C27H34N2O10 (546.2213)

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

C27H35ClN4O6 (546.2245)

Farglitazar

C34H30N2O5 (546.2155)

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

Ala Met Tyr Tyr

C26H34N4O7S (546.2148)

Ala Tyr Met Tyr

C26H34N4O7S (546.2148)

Ala Tyr Tyr Met

C26H34N4O7S (546.2148)

Cys Phe Phe Met

C26H34N4O5S2 (546.1971)

Cys Phe Met Phe

C26H34N4O5S2 (546.1971)

Cys Met Phe Phe

C26H34N4O5S2 (546.1971)

Cys Val Tyr Tyr

C26H34N4O7S (546.2148)

Cys Tyr Val Tyr

C26H34N4O7S (546.2148)

Cys Tyr Tyr Val

C26H34N4O7S (546.2148)

Asp Glu Phe His

C24H30N6O9 (546.2074)

Asp Glu His Phe

C24H30N6O9 (546.2074)

Asp Glu Gln Arg

C20H34N8O10 (546.2398)

Asp Glu Arg Gln

C20H34N8O10 (546.2398)

Asp Phe Glu His

C24H30N6O9 (546.2074)

Asp Phe His Glu

C24H30N6O9 (546.2074)

Asp His Glu Phe

C24H30N6O9 (546.2074)

Asp His Phe Glu

C24H30N6O9 (546.2074)

Asp Gln Glu Arg

C20H34N8O10 (546.2398)

Asp Gln Arg Glu

C20H34N8O10 (546.2398)

Asp Arg Glu Gln

C20H34N8O10 (546.2398)

Asp Arg Gln Glu

C20H34N8O10 (546.2398)

Asp Ser Tyr Tyr

C25H30N4O10 (546.1962)

Asp Tyr Ser Tyr

C25H30N4O10 (546.1962)

Asp Tyr Tyr Ser

C25H30N4O10 (546.1962)

Glu Asp Phe His

C24H30N6O9 (546.2074)

Glu Asp His Phe

C24H30N6O9 (546.2074)

Glu Asp Gln Arg

C20H34N8O10 (546.2398)

Glu Asp Arg Gln

C20H34N8O10 (546.2398)

Glu Glu Asn Arg

C20H34N8O10 (546.2398)

Glu Glu Arg Asn

C20H34N8O10 (546.2398)

Glu Phe Asp His

C24H30N6O9 (546.2074)

Glu Phe His Asp

C24H30N6O9 (546.2074)

Glu His Asp Phe

C24H30N6O9 (546.2074)

Glu His Phe Asp

C24H30N6O9 (546.2074)

Glu His Met Met

C21H34N6O7S2 (546.193)

Glu Met His Met

C21H34N6O7S2 (546.193)

Glu Met Met His

C21H34N6O7S2 (546.193)

Glu Asn Glu Arg

C20H34N8O10 (546.2398)

Glu Asn Arg Glu

C20H34N8O10 (546.2398)

Glu Gln Asp Arg

C20H34N8O10 (546.2398)

Glu Gln Arg Asp

C20H34N8O10 (546.2398)

Glu Arg Asp Gln

C20H34N8O10 (546.2398)

Glu Arg Glu Asn

C20H34N8O10 (546.2398)

Glu Arg Asn Glu

C20H34N8O10 (546.2398)

Glu Arg Gln Asp

C20H34N8O10 (546.2398)

Phe Cys Phe Met

C26H34N4O5S2 (546.1971)

Phe Cys Met Phe

C26H34N4O5S2 (546.1971)

Phe Asp Glu His

C24H30N6O9 (546.2074)

Phe Asp His Glu

C24H30N6O9 (546.2074)

Phe Glu Asp His

C24H30N6O9 (546.2074)

Phe Phe Cys Met

C26H34N4O5S2 (546.1971)

Phe Phe Met Cys

C26H34N4O5S2 (546.1971)

Phe His Asp Glu

C24H30N6O9 (546.2074)

Phe His Glu Asp

C24H30N6O9 (546.2074)

Phe Met Cys Phe

C26H34N4O5S2 (546.1971)

Phe Met Phe Cys

C26H34N4O5S2 (546.1971)

Phe Met Ser Tyr

C26H34N4O7S (546.2148)

Phe Met Tyr Ser

C26H34N4O7S (546.2148)

Phe Ser Met Tyr

C26H34N4O7S (546.2148)

Phe Ser Tyr Met

C26H34N4O7S (546.2148)

Phe Tyr Met Ser

C26H34N4O7S (546.2148)

Phe Tyr Ser Met

C26H34N4O7S (546.2148)

His Asp Glu Phe

C24H30N6O9 (546.2074)

His Asp Phe Glu

C24H30N6O9 (546.2074)

His Glu Asp Phe

C24H30N6O9 (546.2074)

His Glu Phe Asp

C24H30N6O9 (546.2074)

His Glu Met Met

C21H34N6O7S2 (546.193)

His Phe Asp Glu

C24H30N6O9 (546.2074)

His Ile Tyr Asp

C25H34N6O8 (546.2438)

His Met Glu Met

C21H34N6O7S2 (546.193)

His Met Met Glu

C21H34N6O7S2 (546.193)

His Met Pro Tyr

C25H34N6O6S (546.226)

His Met Tyr Pro

C25H34N6O6S (546.226)

His Asn Asn Tyr

C23H30N8O8 (546.2186)

His Asn Tyr Asn

C23H30N8O8 (546.2186)

His Pro Met Tyr

C25H34N6O6S (546.226)

His Pro Tyr Met

C25H34N6O6S (546.226)

His Tyr Met Pro

C25H34N6O6S (546.226)

His Tyr Asn Asn

C23H30N8O8 (546.2186)

His Tyr Pro Met

C25H34N6O6S (546.226)

Leu Tyr His Asp

C25H34N6O8 (546.2438)

Met Ala Tyr Tyr

C26H34N4O7S (546.2148)

Met Cys Phe Phe

C26H34N4O5S2 (546.1971)

Met Glu His Met

C21H34N6O7S2 (546.193)

Met Glu Met His

C21H34N6O7S2 (546.193)

Met Phe Cys Phe

C26H34N4O5S2 (546.1971)

Met Phe Phe Cys

C26H34N4O5S2 (546.1971)

Met Phe Ser Tyr

C26H34N4O7S (546.2148)

Met Phe Tyr Ser

C26H34N4O7S (546.2148)

Met His Glu Met

C21H34N6O7S2 (546.193)

Met His Met Glu

C21H34N6O7S2 (546.193)

Met His Pro Tyr

C25H34N6O6S (546.226)

Met His Tyr Pro

C25H34N6O6S (546.226)

Met Met Glu His

C21H34N6O7S2 (546.193)

Met Met His Glu

C21H34N6O7S2 (546.193)

Met Asn Pro Trp

C25H34N6O6S (546.226)

Met Asn Trp Pro

C25H34N6O6S (546.226)

Met Pro His Tyr

C25H34N6O6S (546.226)

Met Pro Asn Trp

C25H34N6O6S (546.226)

Met Pro Trp Asn

C25H34N6O6S (546.226)

Met Pro Tyr His

C25H34N6O6S (546.226)

Met Ser Phe Tyr

C26H34N4O7S (546.2148)

Met Ser Tyr Phe

C26H34N4O7S (546.2148)

Met Trp Asn Pro

C25H34N6O6S (546.226)

Met Trp Pro Asn

C25H34N6O6S (546.226)

Met Tyr Ala Tyr

C26H34N4O7S (546.2148)

Met Tyr Phe Ser

C26H34N4O7S (546.2148)

Met Tyr His Pro

C25H34N6O6S (546.226)

Met Tyr Pro His

C25H34N6O6S (546.226)

Met Tyr Ser Phe

C26H34N4O7S (546.2148)

Met Tyr Tyr Ala

C26H34N4O7S (546.2148)

Asn Asp Ile Trp

C25H34N6O8 (546.2438)

Asn Asp Leu Trp

C25H34N6O8 (546.2438)

Asn Asp Trp Ile

C25H34N6O8 (546.2438)

Asn Asp Trp Leu

C25H34N6O8 (546.2438)

Asn Glu Glu Arg

C20H34N8O10 (546.2398)

Asn Glu Arg Glu

C20H34N8O10 (546.2398)

Asn Glu Val Trp

C25H34N6O8 (546.2438)

Asn Glu Trp Val

C25H34N6O8 (546.2438)

Asn His Asn Tyr

C23H30N8O8 (546.2186)

Asn His Tyr Asn

C23H30N8O8 (546.2186)

Asn Ile Asp Trp

C25H34N6O8 (546.2438)

Asn Ile Trp Asp

C25H34N6O8 (546.2438)

Asn Leu Asp Trp

C25H34N6O8 (546.2438)

Asn Leu Trp Asp

C25H34N6O8 (546.2438)

Asn Met Pro Trp

C25H34N6O6S (546.226)

Asn Met Trp Pro

C25H34N6O6S (546.226)

Asn Asn His Tyr

C23H30N8O8 (546.2186)

Asn Asn Asn Trp

C23H30N8O8 (546.2186)

Asn Asn Trp Asn

C23H30N8O8 (546.2186)

Asn Asn Tyr His

C23H30N8O8 (546.2186)

Asn Pro Met Trp

C25H34N6O6S (546.226)

Asn Pro Trp Met

C25H34N6O6S (546.226)

Asn Arg Glu Glu

C20H34N8O10 (546.2398)

Asn Val Glu Trp

C25H34N6O8 (546.2438)

Asn Val Trp Glu

C25H34N6O8 (546.2438)

Asn Trp Asp Ile

C25H34N6O8 (546.2438)

Asn Trp Asp Leu

C25H34N6O8 (546.2438)

Asn Trp Glu Val

C25H34N6O8 (546.2438)

Asn Trp Ile Asp

C25H34N6O8 (546.2438)

Asn Trp Leu Asp

C25H34N6O8 (546.2438)

Asn Trp Met Pro

C25H34N6O6S (546.226)

Asn Trp Asn Asn

C23H30N8O8 (546.2186)

Asn Trp Pro Met

C25H34N6O6S (546.226)

Asn Trp Val Glu

C25H34N6O8 (546.2438)

Asn Tyr His Asn

C23H30N8O8 (546.2186)

Asn Tyr Asn His

C23H30N8O8 (546.2186)

Pro His Met Tyr

C25H34N6O6S (546.226)

Pro His Tyr Met

C25H34N6O6S (546.226)

Pro Met His Tyr

C25H34N6O6S (546.226)

Pro Met Asn Trp

C25H34N6O6S (546.226)

Pro Met Trp Asn

C25H34N6O6S (546.226)

Pro Met Tyr His

C25H34N6O6S (546.226)

Pro Asn Met Trp

C25H34N6O6S (546.226)

Pro Asn Trp Met

C25H34N6O6S (546.226)

Pro Trp Met Asn

C25H34N6O6S (546.226)

Pro Trp Asn Met

C25H34N6O6S (546.226)

Pro Tyr His Met

C25H34N6O6S (546.226)

Pro Tyr Met His

C25H34N6O6S (546.226)

Gln Asp Glu Arg

C20H34N8O10 (546.2398)

Gln Asp Arg Glu

C20H34N8O10 (546.2398)

Gln Asp Val Trp

C25H34N6O8 (546.2438)

Gln Asp Trp Val

C25H34N6O8 (546.2438)

Gln Glu Asp Arg

C20H34N8O10 (546.2398)

Gln Glu Arg Asp

C20H34N8O10 (546.2398)

Gln Arg Glu Asp

C20H34N8O10 (546.2398)

Gln Val Asp Trp

C25H34N6O8 (546.2438)

Gln Val Trp Asp

C25H34N6O8 (546.2438)

Gln Trp Asp Val

C25H34N6O8 (546.2438)

Gln Trp Val Asp

C25H34N6O8 (546.2438)

Arg Asp Glu Gln

C20H34N8O10 (546.2398)

Arg Asp Gln Glu

C20H34N8O10 (546.2398)

Arg Glu Asp Gln

C20H34N8O10 (546.2398)

Arg Glu Glu Asn

C20H34N8O10 (546.2398)

Arg Glu Asn Glu

C20H34N8O10 (546.2398)

Arg Glu Gln Asp

C20H34N8O10 (546.2398)

Arg Asn Glu Glu

C20H34N8O10 (546.2398)

Arg Gln Asp Glu

C20H34N8O10 (546.2398)

Arg Gln Glu Asp

C20H34N8O10 (546.2398)

Ser Asp Tyr Tyr

C25H30N4O10 (546.1962)

Ser Phe Met Tyr

C26H34N4O7S (546.2148)

Ser Phe Tyr Met

C26H34N4O7S (546.2148)

Ser Met Phe Tyr

C26H34N4O7S (546.2148)

Ser Met Tyr Phe

C26H34N4O7S (546.2148)

Ser Tyr Asp Tyr

C25H30N4O10 (546.1962)

Ser Tyr Phe Met

C26H34N4O7S (546.2148)

Ser Tyr Met Phe

C26H34N4O7S (546.2148)

Ser Tyr Tyr Asp

C25H30N4O10 (546.1962)

Thr Thr Tyr Tyr

C26H34N4O9 (546.2326)

Thr Tyr Thr Tyr

C26H34N4O9 (546.2326)

Thr Tyr Tyr Thr

C26H34N4O9 (546.2326)

Val Cys Tyr Tyr

C26H34N4O7S (546.2148)

Val Asp Gln Trp

C25H34N6O8 (546.2438)

Val Asp Trp Gln

C25H34N6O8 (546.2438)

Val Glu His Tyr

C25H34N6O8 (546.2438)

Val Glu Asn Trp

C25H34N6O8 (546.2438)

Val Glu Trp Asn

C25H34N6O8 (546.2438)

Val Glu Tyr His

C25H34N6O8 (546.2438)

Val His Glu Tyr

C25H34N6O8 (546.2438)

Val His Tyr Glu

C25H34N6O8 (546.2438)

Val Asn Glu Trp

C25H34N6O8 (546.2438)

Val Asn Trp Glu

C25H34N6O8 (546.2438)

Val Gln Asp Trp

C25H34N6O8 (546.2438)

Val Gln Trp Asp

C25H34N6O8 (546.2438)

Val Trp Asp Gln

C25H34N6O8 (546.2438)

Val Trp Glu Asn

C25H34N6O8 (546.2438)

Val Trp Asn Glu

C25H34N6O8 (546.2438)

Val Trp Gln Asp

C25H34N6O8 (546.2438)

Val Tyr Cys Tyr

C26H34N4O7S (546.2148)

Val Tyr Glu His

C25H34N6O8 (546.2438)

Val Tyr His Glu

C25H34N6O8 (546.2438)

Val Tyr Tyr Cys

C26H34N4O7S (546.2148)

Trp Asp Ile Asn

C25H34N6O8 (546.2438)

Trp Asp Leu Asn

C25H34N6O8 (546.2438)

Trp Asp Asn Ile

C25H34N6O8 (546.2438)

Trp Asp Asn Leu

C25H34N6O8 (546.2438)

Trp Asp Gln Val

C25H34N6O8 (546.2438)

Trp Asp Val Gln

C25H34N6O8 (546.2438)

Trp Glu Asn Val

C25H34N6O8 (546.2438)

Trp Glu Val Asn

C25H34N6O8 (546.2438)

Trp Ile Asp Asn

C25H34N6O8 (546.2438)

Trp Ile Asn Asp

C25H34N6O8 (546.2438)

Trp Leu Asp Asn

C25H34N6O8 (546.2438)

Trp Leu Asn Asp

C25H34N6O8 (546.2438)

Trp Met Asn Pro

C25H34N6O6S (546.226)

Trp Met Pro Asn

C25H34N6O6S (546.226)

Trp Asn Asp Ile

C25H34N6O8 (546.2438)

Trp Asn Asp Leu

C25H34N6O8 (546.2438)

Trp Asn Glu Val

C25H34N6O8 (546.2438)

Trp Asn Ile Asp

C25H34N6O8 (546.2438)

Trp Asn Leu Asp

C25H34N6O8 (546.2438)

Trp Asn Met Pro

C25H34N6O6S (546.226)

Trp Asn Asn Asn

C23H30N8O8 (546.2186)

Trp Asn Pro Met

C25H34N6O6S (546.226)

Trp Asn Val Glu

C25H34N6O8 (546.2438)

Trp Pro Met Asn

C25H34N6O6S (546.226)

Trp Pro Asn Met

C25H34N6O6S (546.226)

Trp Gln Asp Val

C25H34N6O8 (546.2438)

Trp Gln Val Asp

C25H34N6O8 (546.2438)

Trp Val Asp Gln

C25H34N6O8 (546.2438)

Tyr Ala Met Tyr

C26H34N4O7S (546.2148)

Tyr Ala Tyr Met

C26H34N4O7S (546.2148)

Tyr Cys Val Tyr

C26H34N4O7S (546.2148)

Tyr Cys Tyr Val

C26H34N4O7S (546.2148)

Tyr Asp Ser Tyr

C25H30N4O10 (546.1962)

Tyr Asp Tyr Ser

C25H30N4O10 (546.1962)

Tyr Phe Met Ser

C26H34N4O7S (546.2148)

Tyr Phe Ser Met

C26H34N4O7S (546.2148)

Tyr His Met Pro

C25H34N6O6S (546.226)

Tyr His Asn Asn

C23H30N8O8 (546.2186)

Tyr His Pro Met

C25H34N6O6S (546.226)

Tyr Met Ala Tyr

C26H34N4O7S (546.2148)

Tyr Met Phe Ser

C26H34N4O7S (546.2148)

Tyr Met His Pro

C25H34N6O6S (546.226)

Tyr Met Pro His

C25H34N6O6S (546.226)

Tyr Met Ser Phe

C26H34N4O7S (546.2148)

Tyr Met Tyr Ala

C26H34N4O7S (546.2148)

Tyr Asn His Asn

C23H30N8O8 (546.2186)

Tyr Asn Asn His

C23H30N8O8 (546.2186)

Tyr Pro His Met

C25H34N6O6S (546.226)

Tyr Pro Met His

C25H34N6O6S (546.226)

Tyr Ser Asp Tyr

C25H30N4O10 (546.1962)

Tyr Ser Phe Met

C26H34N4O7S (546.2148)

Tyr Ser Met Phe

C26H34N4O7S (546.2148)

Tyr Ser Tyr Asp

C25H30N4O10 (546.1962)

Tyr Thr Thr Tyr

C26H34N4O9 (546.2326)

Tyr Thr Tyr Thr

C26H34N4O9 (546.2326)

Tyr Val Cys Tyr

C26H34N4O7S (546.2148)

Tyr Val Tyr Cys

C26H34N4O7S (546.2148)

Tyr Tyr Ala Met

C26H34N4O7S (546.2148)

Tyr Tyr Cys Val

C26H34N4O7S (546.2148)

Tyr Tyr Asp Ser

C25H30N4O10 (546.1962)

Tyr Tyr Met Ala

C26H34N4O7S (546.2148)

Tyr Tyr Ser Asp

C25H30N4O10 (546.1962)

Tyr Tyr Thr Thr

C26H34N4O9 (546.2326)

Tyr Tyr Val Cys

C26H34N4O7S (546.2148)

EGNID

C21H34N6O11 (546.2285)

QDGDL

C21H34N6O11 (546.2285)

Physagulin B

C30H39ClO7 (546.2384)

Physagulin B

C30H39O7Cl (546.2384)

lead cyclohexanebutyrate

C20H34O4Pb (546.2223)

5-o-(dimethoxytrityl)-5,6-dihydrothymidine

C31H34N2O7 (546.2366)

5-DMT-rU

C30H30N2O8 (546.2002)

5'-O-DMT-rU is a modified nucleoside and can be used to synthesize RNA.

9,9-Bis[4-(2-acryloyloxyethyloxy)phenyl]fluorene

C35H30O6 (546.2042)

Methyl [(2S)-1-[(2S,5S)-2-[9-chloro-1,11-dihydroisochromeno[4,3:6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C30H31ClN4O4 (546.2034)

(4Z)-N-(2-methoxyphenyl)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2-carboxamide

C32H26N4O5 (546.1903)

Linerixibat

C28H38N2O7S (546.24)

C78276 - Agent Affecting Digestive System or Metabolism > C177170 - Ileal Bile Acid Transport Inhibitor

Tepotinib Hydrochloride Hydrate

C29H31ClN6O3 (546.2146)

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents

Bistratamide E

C25H34N6O4S2 (546.2083)

A homodetic cyclic peptide that consists of L-threonine and L-valine as the amino acid residues cyclised via amide bonds. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.

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

C32H34O8 (546.2254)

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)-

C28H38N2O7S (546.24)

PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C25H39O11P (546.223)

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

C25H39O11P (546.223)

(E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

C31H26N6O4 (546.2015)

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

C28H38N2O7S (546.24)

(1S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)

1,12-di-L-ascorbyl dodecanedioate

C24H34O14 (546.1948)

(4R,5R)-2-benzoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-3-spiro[1,5-dihydro-2-benzazepine-4,4-5H-oxazole]one

C34H30N2O5 (546.2155)

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

C28H38N2O7S (546.24)

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

C28H38N2O7S (546.24)

N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C30H30N2O8 (546.2002)

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

C28H38N2O7S (546.24)

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

C28H38N2O7S (546.24)

N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C30H30N2O8 (546.2002)

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

C28H38N2O7S (546.24)

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

C28H38N2O7S (546.24)

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

C28H38N2O7S (546.24)

N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C30H30N2O8 (546.2002)

N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C30H30N2O8 (546.2002)

(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)

[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone

C29H30N4O5S (546.1937)

(1R)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)

N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C30H30N2O8 (546.2002)

N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C30H30N2O8 (546.2002)

[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone

C29H30N4O5S (546.1937)

(1S)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)

DON-10-gamma-glutamylcysteine

C23H34N2O11S (546.1883)

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

C27H34N2O10 (546.2213)

(2S,3R,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C25H38O11S (546.2135)

Cymoside-CASMI2016 Category 1-Challenge 5

C27H34N2O10 (546.2213)

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

C27H34N2O10 (546.2213)

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

C27H34N2O10 (546.2213)

LPGP P-16:1

C22H44O11P2 (546.2359)

ST 18:2;O8;GlcA

C24H34O14 (546.1948)

ST 19:1;O7;GlcA

C25H38O13 (546.2312)

ST 22:6;O5;GlcA

C28H34O11 (546.2101)

ST 19:2;O8;Hex

C25H38O13 (546.2312)

ST 25:3;O8;S

C25H38O11S (546.2135)

ST 29:7;O5;S

C29H38O8S (546.2287)

(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

C25H38O13 (546.2312)

3-methyl-1-[(2r,3s,4r,6r)-3,10,12-trihydroxy-4-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl}-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butan-1-one

C28H34O11 (546.2101)

(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

C34H30N2O5 (546.2155)

(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

C32H34O8 (546.2254)

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

C27H34N2O10 (546.2213)

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

C27H34N2O10 (546.2213)

(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

C32H34O8 (546.2254)

(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

C25H38O13 (546.2312)

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate

C25H38O13 (546.2312)

[2-isopropyl-3,5-dimethyl-4,6-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

C25H38O11S (546.2135)

methyl 7-methyl-6-[(5-phenylpenta-2,4-dienoyl)oxy]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C28H34O11 (546.2101)

(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

C25H38O13 (546.2312)

(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

C32H34O8 (546.2254)

(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

C32H34O8 (546.2254)

(1r,2s,3r)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)(methoxy)methyl]-2,3-dihydro-1h-indene-4,6-diol

C31H30O9 (546.189)

1,2-dehydroapateline

C34H30N2O5 (546.2155)

{"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

C27H34N2O10 (546.2213)

{"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

C27H34N2O10 (546.2213)

{"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"}

{2-isopropyl-3,5-dimethyl-4,6-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}(methylsulfanyl)methanone

C25H38O11S (546.2135)

(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 (2z)-3-phenylprop-2-enoate

C32H34O8 (546.2254)

methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2r,3s,4r,5r,6s)-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

C27H34N2O10 (546.2213)

(1s,2r,6r,7r,10s,11r,16r,18r,19s,20s)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)

methyl 15-hydroxy-17-{[(2s,3r,4s,5s,6r)-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

C27H34N2O10 (546.2213)

methyl 3-[(3,4-dimethylpent-2-enoyl)oxy]-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadeca-8,11-diene-17-carboxylate

C28H34O11 (546.2101)

methyl (1r,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

C27H34N2O10 (546.2213)

methyl (13e)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyloxy)methyl]-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate

C31H34N2O7 (546.2366)

(1s,2r,4s,5r,6s,7r,9r,12r)-4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)

1,8-bis[(4-hydroxyphenyl)methyl]-7-methoxy-3-phenyl-9,10-dihydrophenanthrene-2,4,5-triol

C35H30O6 (546.2042)

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 3-phenylprop-2-enoate

C32H34O8 (546.2254)

(4s,7r,8s,11s,18s)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C25H34N6O4S2 (546.2083)

(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 3-phenylprop-2-enoate

C32H34O8 (546.2254)

7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

C28H34O11 (546.2101)

methyl (1r,9s,11s,14e,15s,17s,19r)-19-[(benzoyloxy)methyl]-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

C31H34N2O7 (546.2366)

(21s)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25(33),26,28(32),30(34),35-tridecaen-13-ol

C34H30N2O5 (546.2155)

4-({[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate

C25H38O13 (546.2312)

methyl (1s,4as,6s,7s,7as)-7-methyl-6-{[(2e,4e)-5-phenylpenta-2,4-dienoyl]oxy}-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C28H34O11 (546.2101)

(1r,2r)-3-(acetyloxy)-1-[4-(acetyloxy)-3-methoxyphenyl]-2-{4-[3-(acetyloxy)propyl]-2-methoxyphenoxy}propyl acetate

C28H34O11 (546.2101)

1-(3-{1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl}-4-oxoquinazolin-2-yl)-2-methylpropyl acetate

C29H30N4O7 (546.2114)

5a-chloro-1-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3a,5-dihydroxy-9a,11a-dimethyl-9-oxo-3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-3-yl acetate

C30H39ClO7 (546.2384)

methyl 15-hydroxy-17-{[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

C27H34N2O10 (546.2213)

1-{2,4-dihydroxy-3,5-dimethyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-2-methylbutan-1-one

C25H38O13 (546.2312)

(1r,2s,5s,8s,9r,14r,15r,17r,18r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

C28H34O11 (546.2101)

6,6'-bis[2-(3,4-dimethoxyphenyl)ethyl]-[1,1'-biphenyl]-2,2',4,4'-tetrol

C32H34O8 (546.2254)

5-{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

C32H34O8 (546.2254)

4,5-dihydroxy-6-[(3-phenylprop-2-en-1-yl)oxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl benzoate

C28H34O11 (546.2101)

4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2s,3s,4s,5s,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

C27H34N2O10 (546.2213)

(2e,4e,6e)-n-[(5s)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyldeca-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

(2e,4z,6z)-7-[(2s)-4-{[(2e,4e,6e)-7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

(2e,4e,6e)-7-(4-{[(2e,4e,6e)-7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

(1r,6s,11s,16s,19r)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)

4,24-dimethyl 11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate

C32H26N4O5 (546.1903)

(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 3-methylbutanoate

C25H38O13 (546.2312)

4-({[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 3-methylbutanoate

C25H38O13 (546.2312)

(1r)-1-{3-[(4'r,9s,9as)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate

C29H30N4O7 (546.2114)

6-(acetyloxy)-4-({[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

C25H38O13 (546.2312)

4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)

methyl 14-(hydroxymethyl)-16-{[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

C27H34N2O10 (546.2213)

methyl (1r,2s,3r,6r,13s,14r,15r,16s,17s)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadeca-8,11-diene-17-carboxylate

C28H34O11 (546.2101)

4-[6a-methyl-3-(3-methylpent-1-en-1-yl)-6,8-dioxofuro[2,3-h]isochromen-9-yl]-3-methyl-4-oxobutan-2-yl 2-methoxy-2-phenylacetate

C32H34O8 (546.2254)

(1s,2s,5s,6s,7s,9r,12r)-7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C28H34O11 (546.2101)

methyl (1s,4ar,6r,7r,7ar)-6-hydroxy-7-[(1r)-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34N2O10 (546.2213)

(3r)-3,5,10-trihydroxy-3-methyl-9-[(2r,5s,6r)-6-methyl-5-[(2r,6s)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxan-2-yl]-2,4-dihydrotetracene-1,6,11-trione

C31H30O9 (546.189)

methyl (1s,15r,16s,17r,21s)-15-hydroxy-17-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)

(2e,4e,6e)-7-[(1r,2s,6s)-4-{[(2e,4e,6e)-7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

methyl 6-hydroxy-7-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34N2O10 (546.2213)

(3r,4r,7r)-14-hydroxy-5',6,6,18,18-pentamethyl-21-(3-methylbut-2-en-1-yl)-3'h-2,5,19-trioxaspiro[pentacyclo[11.8.0.0³,⁷.0³,¹¹.0¹⁵,²⁰]henicosane-4,2'-pyran]-1(13),10,14,16,20-pentaene-6',9,12-trione

C32H34O8 (546.2254)

(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-2-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl benzoate

C28H34O11 (546.2101)

(3r)-5-[(3r)-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

C32H34O8 (546.2254)

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2s)-2-methylbutanoate

C25H38O13 (546.2312)

(1r,2s,3r)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(r)-(4-hydroxy-3-methoxyphenyl)(methoxy)methyl]-2,3-dihydro-1h-indene-4,6-diol

C31H30O9 (546.189)

4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C25H34N6O4S2 (546.2083)

4-({[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 2-methylbutanoate

C25H38O13 (546.2312)

methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

C31H34N2O7 (546.2366)

6,14-dihydroxy-15-{[(3r,6r,7r)-12-hydroxy-3,6,10,13-tetramethyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-11-yl]methyl}-4,7,12-trimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C32H34O8 (546.2254)

2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)(methoxy)methyl]-2,3-dihydro-1h-indene-4,6-diol

C31H30O9 (546.189)

(1r,2s,6s,7s,10r,11s,16s,18s,19r,20r)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)

27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25(33),26,28(32),30(34),35-tridecaen-13-ol

C34H30N2O5 (546.2155)

14-hydroxy-5',6,6,18,18-pentamethyl-21-(3-methylbut-2-en-1-yl)-3'h-2,5,19-trioxaspiro[pentacyclo[11.8.0.0³,⁷.0³,¹¹.0¹⁵,²⁰]henicosane-4,2'-pyran]-1(13),10,14,16,20-pentaene-6',9,12-trione

C32H34O8 (546.2254)

6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)

methyl (1r,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

C27H34N2O10 (546.2213)

7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

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

C34H30N2O5 (546.2155)

5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

C28H34O11 (546.2101)

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2s,3r,4s,5s,6r)-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

C27H34N2O10 (546.2213)

7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C28H34O11 (546.2101)

1,1',7,7'-tetrahydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde

C32H34O8 (546.2254)

(1r)-1-{3-[(4's,9r,9ar)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate

C29H30N4O7 (546.2114)

methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)

(2e,4e,6e)-7-[(1s,2r,6r)-4-{[(2e,4e,6e)-7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

(1r,2s,5s,8s,9r,14r,15r,17r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

C28H34O11 (546.2101)

3-(acetyloxy)-1-[4-(acetyloxy)-3-methoxyphenyl]-2-{4-[3-(acetyloxy)propyl]-2-methoxyphenoxy}propyl acetate

C28H34O11 (546.2101)

methyl (1s,10s,12s,13e,18r)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyloxy)methyl]-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate

C31H34N2O7 (546.2366)

(2z)-4-[(1s,2s,8s,17s,19r)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

C32H34O8 (546.2254)

(2e,4e,6e)-7-[(2s)-4-{[(2e,4e,6e)-7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C31H34N2O7 (546.2366)

(1r,2r,4s,7r,8s,11r,12r,13s,18r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

C28H34O11 (546.2101)

4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate

C32H26N4O5 (546.1903)

4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

C32H34O8 (546.2254)

(2e)-4-[(1s,2s,8r,17s,19r)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

C32H34O8 (546.2254)

(1s,2r,4s,5r,6s,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)

(1r,2r,4s,7r,8s,11r,12r,13r,18r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

C28H34O11 (546.2101)

(9r,10r,11s)-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

C32H34O8 (546.2254)

methyl (1r,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2r,3s,4r,5r,6s)-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

C27H34N2O10 (546.2213)

3-methyl-1-[3,10,12-trihydroxy-4-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl}-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butan-1-one

C28H34O11 (546.2101)