Exact Mass: 546.2287

Exact Mass Matches: 546.2287

Found 161 metabolites which its exact mass value is equals to given mass value 546.2287, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

asukamycin

(2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide

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.

Physagulin B

7-Chloro-14-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-8,11-dihydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-4,13-dien-12-yl acetic acid

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).

(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

3-{[hydroxy({4-oxo-5-[2-(piperidin-4-yl)ethyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl})methylidene]amino}-2-(4-methylbenzenesulphonamido)propanoic acid

C25H34N6O6S (546.226)

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

[(2R)-3-(acetyloxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

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)

[(2R)-2-(acetyloxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

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).

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)

Dihydrocadambin

C27H34N2O10 (546.2213)

kadsuphilin A

C32H34O8 (546.2254)

C32H34O8

C32H34O8 (546.2254)

morellic acid

C32H34O8 (546.2254)

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

C25H38O13 (546.2312)

(3,4,5-Trimethoxybenzoyl)quebrachidine

C31H34N2O7 (546.2366)

NSC655651

C32H34O8 (546.2254)

Glu Gly Asn Ile Asp

C21H34N6O11 (546.2285)

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)

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

NCGC00380205-01_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)

His Met Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C25H34N6O6S (546.226)

His Met Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

His Pro Met Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H34N6O6S (546.226)

His Pro Tyr Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

His Tyr Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

His Tyr Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Met His Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C25H34N6O6S (546.226)

Met His Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Met Asn Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C25H34N6O6S (546.226)

Met Asn Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Met Pro His Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H34N6O6S (546.226)

Met Pro Asn Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N6O6S (546.226)

Met Pro Trp Asn

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C25H34N6O6S (546.226)

Met Pro Tyr His

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N6O6S (546.226)

Met Trp Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Met Trp Pro Asn

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

C25H34N6O6S (546.226)

Met Tyr His Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Met Tyr Pro His

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

C25H34N6O6S (546.226)

Asn Met Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C25H34N6O6S (546.226)

Asn Met Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Asn Pro Met Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N6O6S (546.226)

Asn Pro Trp Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Asn Trp Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Asn Trp Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Pro His Met Tyr

(2S)-3-(4-hydroxyphenyl)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C25H34N6O6S (546.226)

Pro His Tyr Met

(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Pro Met His Tyr

(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]propanoic acid

C25H34N6O6S (546.226)

Pro Met Asn Trp

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N6O6S (546.226)

Pro Met Trp Asn

(2S)-3-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]propanoic acid

C25H34N6O6S (546.226)

Pro Met Tyr His

(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N6O6S (546.226)

Pro Asn Met Trp

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N6O6S (546.226)

Pro Asn Trp Met

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Pro Trp Met Asn

(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C25H34N6O6S (546.226)

Pro Trp Asn Met

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Pro Tyr His Met

(2S)-2-[(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Pro Tyr Met His

(2S)-2-[(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N6O6S (546.226)

Thr Thr Tyr Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O9 (546.2326)

Thr Tyr Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O9 (546.2326)

Thr Tyr Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C26H34N4O9 (546.2326)

Trp Met Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Trp Met Pro Asn

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

C25H34N6O6S (546.226)

Trp Asn Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Trp Asn Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Trp Pro Met Asn

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C25H34N6O6S (546.226)

Trp Pro Asn Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Tyr His Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Tyr His Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Tyr Met His Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H34N6O6S (546.226)

Tyr Met Pro His

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

C25H34N6O6S (546.226)

Tyr Pro His Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H34N6O6S (546.226)

Tyr Pro Met His

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N6O6S (546.226)

Tyr Thr Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O9 (546.2326)

Tyr Thr Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C26H34N4O9 (546.2326)

Tyr Tyr Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C26H34N4O9 (546.2326)

EGNID

Glu-Gly-Asn-Ile-Asp

C21H34N6O11 (546.2285)

QDGDL

Gln Asp Gly Asp Leu

C21H34N6O11 (546.2285)

Physagulin B

7-chloro-14-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-8,11-dihydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-4,13-dien-12-yl acetate

C30H39ClO7 (546.2384)

Physagulin B

15alpha-acetoxy-5alpha-chloro-6beta,14alpha-dihydroxy-1-oxo-witha2,16,24-trien-26,22-olide

C30H39O7Cl (546.2384)

lead cyclohexanebutyrate

C20H34O4Pb (546.2223)

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

C31H34N2O7 (546.2366)

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)

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)

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,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)

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

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

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 19:1;O7;GlcA

C25H38O13 (546.2312)

ST 19:2;O8;Hex

C25H38O13 (546.2312)

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)

(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

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

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)

(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)

3α-dihydrocadambine

3alpha-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

3beta-isodihydrocadambine; 3β-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"}

(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

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)

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

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 (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

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)

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)

(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)

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

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)

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)

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)

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)

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

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

(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

(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

(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)

(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)

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)

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)

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)

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

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)

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

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

(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

(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)

(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)

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

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)

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)

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

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)

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

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)

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

C32H34O8 (546.2254)

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

(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)

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

(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

(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)

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

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

(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)

(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

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)

(1s,4as,7r,7as)-4-({[(2r,3r,4r,5r,6r)-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)