Exact Mass: 586.2877

Exact Mass Matches: 586.2877

Found 210 metabolites which its exact mass value is equals to given mass value 586.2877, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Irinotecan

(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl 4-(piperidin-1-yl)piperidine-1-carboxylate

C33H38N4O6 (586.2791)


Irinotecan is an antineoplastic enzyme inhibitor primarily used in the treatment of colorectal cancer. It is a derivative of camptothecin that inhibits the action of topoisomerase I. Irinotecan prevents religation of the DNA strand by binding to topoisomerase I-DNA complex, and causes double-strand DNA breakage and cell death. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Same as: D08086

   

Phycocyanobilin

(2R,3Z)-Phycocyanobilin

C33H38N4O6 (586.2791)


Phycocyanobilin is a linear, open-chain tetrapyrrole pigment that belongs to the family of bilins. It serves as a chromophore in various phytochrome photoreceptors found in cyanobacteria, as well as in the chlorosomes of green sulfur bacteria. Phycocyanobilin is a key component of phycobiliproteins, which are water-soluble pigments involved in light harvesting during photosynthesis. **Chemical Structure:** Phycocyanobilin has a molecular formula of C33H36N4O6 and a molecular weight of approximately 596.67 g/mol. Structurally, it consists of a porphyrin backbone with four pyrrole rings connected by methine bridges. The pyrrole rings contain nitrogen atoms that coordinate a central magnesium ion in phycobiliproteins. Unlike chlorophyll, phycocyanobilin has an open-chain structure due to the presence of a double bond between the C-20 and C-21 positions of the macrocyclic ring, which prevents it from forming a fully circular porphyrin ring. **Properties:** - **Color:** Phycocyanobilin imparts a blue color to the phycobiliproteins in which it is bound. The specific color is due to the electronic structure of the phycocyanobilin molecule, which allows it to absorb light in the red region of the visible spectrum, typically around 620-630 nm. - **Solubility:** Unlike many other pigments, phycocyanobilin is water-soluble due to its binding to phycobiliproteins, which enhances its functionality in the thylakoid membranes of cyanobacteria. - **Chemical Reactivity:** Phycocyanobilin can be isomerized and oxidized to form other bilins, such as phycoerythrobilin and phycourobilin, which have different spectral properties and can be found in different phycobiliproteins. **Biological Role:** Phycocyanobilin plays a critical role in the photosynthetic process of cyanobacteria and certain green sulfur bacteria. Its primary functions include: - **Light Harvesting:** In phycobiliproteins like phycocyanin, phycocyanobilin serves as a light-harvesting antenna. It absorbs light energy and transfers it to the photosynthetic reaction centers, where it is used to drive the synthesis of ATP and NADPH. - **Photoregulation:** In cyanobacteria, phycocyanobilin is also involved in the regulation of photosynthesis through the action of phytochrome-like photoreceptors. These photoreceptors can switch between a Pr (red-absorbing) and a Pfr (far-red-absorbing) form in response to light, regulating gene expression and various metabolic processes. **Synthesis:** Phycocyanobilin is synthesized from the amino acid L-arginine through a series of enzymatic reactions that include the production of 5-aminolevulinic acid (ALA), which is then transformed into protoporphyrin IX. The protoporphyrin IX is subsequently modified to form phycocyanobilin, a process that involves the removal of the macrocyclic ring and the introduction of the double bond at the C-20 and C-21 positions. In summary, phycocyanobilin is an essential pigment for the photosynthetic apparatus of certain photosynthetic organisms, contributing to their ability to capture and utilize light energy for the production of organic compounds. Its unique structure and properties allow it to perform a variety of functions that are critical to the survival and ecological success of these organisms.

   

(3Z)-Phycoerythrobilin

(3Z)-Phycoerythrobilin

C33H38N4O6 (586.2791)


   

CPT-11

Irinotecan

C33H38N4O6 (586.2791)


   

(2R,3Z)-Phycocyanobilin

3-(2-{[3-(2-carboxyethyl)-5-[(3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(3-ethyl-4-methyl-2-oxo-2H-pyrrol-5-yl)methylidene]-4-methyl-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid

C33H38N4O6 (586.2791)


   

7-Ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin

(5,19-Diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl) 4-piperidin-1-ylpiperidine-1-carboxylate

C33H38N4O6 (586.2791)


   

7-EPIKHIVORIN

7-EPIKHIVORIN

C32H42O10 (586.2778)


   

15,16-Anhydrothyrsiferol

15,16-Anhydrothyrsiferol

C30H51BrO6 (586.2869)


   

Ardisiaquinone H

Ardisiaquinone H

C32H42O10 (586.2778)


   

12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d

12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d

C35H38MgN4O3+2 (586.2794)


   
   

Isoazadirolide

Isoazadirolide

C32H42O10 (586.2778)


   

3-epi-dehydrothyrsiferol

3-epi-dehydrothyrsiferol

C30H51BrO6 (586.2869)


   

3beta-hydroxyresiniferonol-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-2E,4E-decadienoate|Yuanhuadin|yuanhuadine

3beta-hydroxyresiniferonol-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-2E,4E-decadienoate|Yuanhuadin|yuanhuadine

C32H42O10 (586.2778)


   

Azedarachin C

Azedarachin C

C32H42O10 (586.2778)


   

N1C(=O)C(CC)=C(C)C1=CC(C(=C1CCC(O)=O)C)=NC1=CC1=C(CCC(O)=O)C(C)=C(C=C2C(=C(C)C(=O)N2)CC)N1

N1C(=O)C(CC)=C(C)C1=CC(C(=C1CCC(O)=O)C)=NC1=CC1=C(CCC(O)=O)C(C)=C(C=C2C(=C(C)C(=O)N2)CC)N1

C33H38N4O6 (586.2791)


   
   

Mesobiliverdin XIIIalpha

Mesobiliverdin XIIIalpha

C33H38N4O6 (586.2791)


   

Phycoerythrobilin

Phycoerythrobilin

C33H38N4O6 (586.2791)


   
   
   
   
   
   

17-defurano-17-(5xi-2,5-dihydroxy-5-hydroxy-2-oxofuran-3-yl)-2?,3?-dehydrosalannol|methyl (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-[(5xi)-2,5-dihydro-5-hydroxy-2-oxofuran-3-yl]-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-bc]difuran-6-acetate

17-defurano-17-(5xi-2,5-dihydroxy-5-hydroxy-2-oxofuran-3-yl)-2?,3?-dehydrosalannol|methyl (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-[(5xi)-2,5-dihydro-5-hydroxy-2-oxofuran-3-yl]-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-bc]difuran-6-acetate

C32H42O10 (586.2778)


   
   

Moluccensin S

Moluccensin S

C32H42O10 (586.2778)


   
   

methyl-3beta-tigloyloxy-2,6-dihydroxy-1-oxomeliac-8(30)-enate

methyl-3beta-tigloyloxy-2,6-dihydroxy-1-oxomeliac-8(30)-enate

C32H42O10 (586.2778)


   

terpecurcumin P

terpecurcumin P

C36H42O7 (586.293)


   

dioxepandehydrothyrsiferol

dioxepandehydrothyrsiferol

C30H51BrO6 (586.2869)


   

walsuronoid A

walsuronoid A

C32H42O10 (586.2778)


   

trichanolide

trichanolide

C32H42O10 (586.2778)


A limonoid based on a mexicanolide-type skeleton isolated from Trichilia connaroides.

   

Mesobiliverdin IIIalpha

Mesobiliverdin IIIalpha

C33H38N4O6 (586.2791)


   

isonimbocinolide Y

isonimbocinolide Y

C32H42O10 (586.2778)


   

7beta,16alpha-acetoxy-4beta,20R-dihydroxy-5beta,6beta-epoxy-1-oxo-witha-2,24-dienolide|7beta,16alpha-diacetoxywithanolide D|7??,16??-Diacetoxy withanolide D

7beta,16alpha-acetoxy-4beta,20R-dihydroxy-5beta,6beta-epoxy-1-oxo-witha-2,24-dienolide|7beta,16alpha-diacetoxywithanolide D|7??,16??-Diacetoxy withanolide D

C32H42O10 (586.2778)


   

(22R,24R,25R,26Phi)-1-oxo-22,26-epoxy-24-O-methyl-3beta,17alpha,24,25,26-pentahydroxyergost-5-ene 3-O-sulfate|cilistol w

(22R,24R,25R,26Phi)-1-oxo-22,26-epoxy-24-O-methyl-3beta,17alpha,24,25,26-pentahydroxyergost-5-ene 3-O-sulfate|cilistol w

C29H46O10S (586.2812)


   

3-(3-methoxy-4-hydroxybenzoyloxy)-6-oxotingenol|milicifoline A

3-(3-methoxy-4-hydroxybenzoyloxy)-6-oxotingenol|milicifoline A

C36H42O7 (586.293)


   

24,25,26,27-tetranor-apotirucalla-(apoeupha)-6alpha-O-methyl,7alpha-senecioyl(7-deacetyl)-11alpha,12alpha,21,23-tetrahydroxy-21,23-epoxy-2,14,20(22)-trien-1,16-dione|meliatetraolenone

24,25,26,27-tetranor-apotirucalla-(apoeupha)-6alpha-O-methyl,7alpha-senecioyl(7-deacetyl)-11alpha,12alpha,21,23-tetrahydroxy-21,23-epoxy-2,14,20(22)-trien-1,16-dione|meliatetraolenone

C32H42O10 (586.2778)


   

Isodehydrothyrsiferol

Isodehydrothyrsiferol

C30H51BrO6 (586.2869)


   

Gln His Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C26H38N10O6 (586.2976)


   

Irinotecan

Irinotecan

C33H38N4O6 (586.2791)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Same as: D08086

   

NCGC00179019-03

NCGC00179019-03!

C32H42O10 (586.2778)


   
   

Glu Pro Arg Trp

(4S)-4-amino-5-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C27H38N8O7 (586.2863)


   

Glu Pro Trp Arg

(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C27H38N8O7 (586.2863)


   

Glu Arg Pro Trp

(4S)-4-amino-4-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}butanoic acid

C27H38N8O7 (586.2863)


   

Glu Arg Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C27H38N8O7 (586.2863)


   

Glu Trp Pro Arg

(4S)-4-amino-4-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}butanoic acid

C27H38N8O7 (586.2863)


   

Glu Trp Arg Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

C27H38N8O7 (586.2863)


   

Phe His Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C26H38N10O6 (586.2976)


   

Phe His Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C26H38N10O6 (586.2976)


   

Phe Gln His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H38N10O6 (586.2976)


   

Phe Gln Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H38N10O6 (586.2976)


   

Phe Arg His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C26H38N10O6 (586.2976)


   

Phe Arg Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H38N10O6 (586.2976)


   

His Phe Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C26H38N10O6 (586.2976)


   

His Phe Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C26H38N10O6 (586.2976)


   

His Gln Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C26H38N10O6 (586.2976)


   

His Gln Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C26H38N10O6 (586.2976)


   

His Arg Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C26H38N10O6 (586.2976)


   

His Arg Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C26H38N10O6 (586.2976)


   

Pro Glu Arg Trp

(4S)-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C27H38N8O7 (586.2863)


   

Pro Glu Trp Arg

(4S)-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C27H38N8O7 (586.2863)


   

Pro Arg Glu Trp

(4S)-4-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H38N8O7 (586.2863)


   

Pro Arg Trp Glu

(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H38N8O7 (586.2863)


   

Pro Val Trp Trp

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

C32H38N6O5 (586.2904)


   

Pro Trp Glu Arg

(4S)-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-4-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanoic acid

C27H38N8O7 (586.2863)


   

Pro Trp Arg Glu

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]pentanedioic acid

C27H38N8O7 (586.2863)


   

Pro Trp Val Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-methylbutanamido]propanoic acid

C32H38N6O5 (586.2904)


   

Pro Trp Trp Val

(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-methylbutanoic acid

C32H38N6O5 (586.2904)


   

Gln Phe His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H38N10O6 (586.2976)


   

Gln Phe Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H38N10O6 (586.2976)


   

Gln His Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C26H38N10O6 (586.2976)


   

Gln Arg Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H38N10O6 (586.2976)


   

Gln Arg His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C26H38N10O6 (586.2976)


   

Arg Glu Pro Trp

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C27H38N8O7 (586.2863)


   

Arg Glu Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C27H38N8O7 (586.2863)


   

Arg Phe His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C26H38N10O6 (586.2976)


   

Arg Phe Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H38N10O6 (586.2976)


   

Arg His Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C26H38N10O6 (586.2976)


   

Arg His Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C26H38N10O6 (586.2976)


   

Arg Pro Glu Trp

(4S)-4-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H38N8O7 (586.2863)


   

Arg Pro Trp Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H38N8O7 (586.2863)


   

Arg Gln Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H38N10O6 (586.2976)


   

Arg Gln His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C26H38N10O6 (586.2976)


   

Arg Trp Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C27H38N8O7 (586.2863)


   

Arg Trp Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C27H38N8O7 (586.2863)


   

Val Pro Trp Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5 (586.2904)


   

Val Trp Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5 (586.2904)


   

Val Trp Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5 (586.2904)


   

Trp Glu Pro Arg

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-[(2S)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C27H38N8O7 (586.2863)


   

Trp Glu Arg Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

C27H38N8O7 (586.2863)


   

Trp Pro Glu Arg

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

C27H38N8O7 (586.2863)


   

Trp Pro Arg Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]pentanedioic acid

C27H38N8O7 (586.2863)


   

Trp Pro Val Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5 (586.2904)


   

Trp Pro Trp Val

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C32H38N6O5 (586.2904)


   

Trp Arg Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C27H38N8O7 (586.2863)


   

Trp Arg Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C27H38N8O7 (586.2863)


   

Trp Val Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5 (586.2904)


   

Trp Val Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5 (586.2904)


   

Trp Trp Pro Val

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C32H38N6O5 (586.2904)


   

Trp Trp Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5 (586.2904)


   

3-acetylecdysone 2-phosphate

(22R)-14,22,25-trihydroxy-6-oxo-2beta-(phosphonooxy)-5beta-cholest-7-en-3beta-yl acetate

C29H47O10P (586.2907)


   

Atorvastatin Ethyl Ester

Atorvastatin Ethyl Ester

C35H39FN2O5 (586.2843)


   

n,n-di(n-heptyl)-perylene-tetracarbonic acid, diamide

n,n-di(n-heptyl)-perylene-tetracarbonic acid, diamide

C38H38N2O4 (586.2831)


   

mesobiliverdin

Mesobiliverdin IX

C33H38N4O6 (586.2791)


   

SULFATED POE NONYLPHENOL SODIUM SALT

SULFATED POE NONYLPHENOL SODIUM SALT

C27H47NaO10S (586.2787)


   

acetic acid,dicyclohexylazanide,palladium(2+)

acetic acid,dicyclohexylazanide,palladium(2+)

C28H52N2O4Pd++ (586.2962)


   

N,N-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(9-methyl-1-phenazinecarboxamide)

N,N-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(9-methyl-1-phenazinecarboxamide)

C34H34N8O2 (586.2805)


   

(3E)-phycoerythrobilin

(3E)-phycoerythrobilin

C33H38N4O6 (586.2791)


   

yuanhuadine

yuanhuadine

C32H42O10 (586.2778)


A natural product found in Daphne genkwa.

   

(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl [1,4-bipiperidine]-1-carboxylate

(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl [1,4-bipiperidine]-1-carboxylate

C33H38N4O6 (586.2791)


   

Mesobiliverdin IV alpha

Mesobiliverdin IV alpha

C33H38N4O6 (586.2791)


   
   

(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate

(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate

C29H40N5O8+ (586.2877)


   

3-[(2E)-2-[[3-(2-carboxylatoethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoate

3-[(2E)-2-[[3-(2-carboxylatoethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoate

C33H38N4O6-2 (586.2791)


   

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethenyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethenyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H38N4O6 (586.2791)


   

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H38N4O6 (586.2791)


   

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(4R)-3-ethylidene-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(4R)-3-ethylidene-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H38N4O6 (586.2791)


   

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3Z)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3Z)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H38N4O6 (586.2791)


   

1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

C30H42N4O6S (586.2825)


   

Dinoflagellate luciferin(2-)

Dinoflagellate luciferin(2-)

C33H38N4O6-2 (586.2791)


   

(3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione

(3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione

C33H38N4O6 (586.2791)


   

[(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate

[(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate

C32H42O10 (586.2778)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C29H47O10P (586.2907)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C29H47O10P (586.2907)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C29H47O10P (586.2907)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C29H47O10P (586.2907)


   

(2R,3Z)-Phycocyanobilin

(2R,3Z)-Phycocyanobilin

C33H38N4O6 (586.2791)


   

tigecycline(1+)

tigecycline(1+)

C29H40N5O8 (586.2877)


An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3.

   

4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl 1,4-bipiperidine-1-carboxylate

4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl 1,4-bipiperidine-1-carboxylate

C33H38N4O6 (586.2791)


   

3-O-acetylecdysone 2-phosphate

3-O-acetylecdysone 2-phosphate

C29H47O10P (586.2907)


   

Dinoflagellate luciferin(2-)

Dinoflagellate luciferin(2-)

C33H38N4O6 (586.2791)


A dicarboxylic acid dianion that results from the removal of a proton from each of the carboxylic acid groups of dinoflagellate luciferin.

   
   

PA P-18:1/8:4;O3

PA P-18:1/8:4;O3

C29H47O10P (586.2907)


   
   
   
   
   
   

ST 26:6;O4;GlcA

ST 26:6;O4;GlcA

C32H42O10 (586.2778)


   

ST 26:7;O5;Hex

ST 26:7;O5;Hex

C32H42O10 (586.2778)


   
   

O-Acetylecdysone phosphate

O-Acetylecdysone phosphate

C29H47O10P (586.2907)


   

(1s,2r,5r,6s,8r,10r,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

(1s,2r,5r,6s,8r,10r,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O10 (586.2778)


   

(1s,8r,10r,11s,15r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

(1s,8r,10r,11s,15r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O10 (586.2778)


   

(2r,3s,6r)-2-{3-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]but-3-en-1-yl}-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol

(2r,3s,6r)-2-{3-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]but-3-en-1-yl}-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol

C30H51BrO6 (586.2869)


   

2-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-5,10-dioxo-7,8,9,11,12,12a,13,14-octahydropicen-3-yl 4-hydroxy-3-methoxybenzoate

2-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-5,10-dioxo-7,8,9,11,12,12a,13,14-octahydropicen-3-yl 4-hydroxy-3-methoxybenzoate

C36H42O7 (586.293)


   

2-(2,16-dimethyl-17-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}heptadeca-2,4,6,8,10,12,14,16-octaenamido)-3-hydroxy-3-(c-hydroxycarbonimidoyl)propanoic acid

2-(2,16-dimethyl-17-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}heptadeca-2,4,6,8,10,12,14,16-octaenamido)-3-hydroxy-3-(c-hydroxycarbonimidoyl)propanoic acid

C33H38N4O6 (586.2791)


   

(1s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

(1r,2r,6s,7s,8r,10s,11s,12r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3-dien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

(1r,2r,6s,7s,8r,10s,11s,12r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3-dien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

C32H42O10 (586.2778)


   

azedarachin c

NA

C32H42O10 (586.2778)


{"Ingredient_id": "HBIN017446","Ingredient_name": "azedarachin c","Alias": "NA","Ingredient_formula": "C32H42O10","Ingredient_Smile": "CC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)CC5(C46C(O6)CC5C7=COC=C7)C)C)O)C","Ingredient_weight": "586.67","OB_score": "NA","CAS_id": "157653-66-2","SymMap_id": "NA","TCMID_id": "2055","TCMSP_id": "NA","TCM_ID_id": "6452","PubChem_id": "10348330","DrugBank_id": "NA"}

   

(1r,3bs,4r,5ar,9ar,9bs,10s,11r,11as)-4-(acetyloxy)-11-hydroxy-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl 2-hydroxy-2-methylpropanoate

(1r,3bs,4r,5ar,9ar,9bs,10s,11r,11as)-4-(acetyloxy)-11-hydroxy-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl 2-hydroxy-2-methylpropanoate

C32H42O10 (586.2778)


   

(1r,2r,4s,6s,8s,11r,12s,13r,16r,17r,19s,20r)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl acetate

(1r,2r,4s,6s,8s,11r,12s,13r,16r,17r,19s,20r)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl acetate

C32H42O10 (586.2778)


   

(1r)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1r)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

C30H51BrO6 (586.2869)


   

1-heptyl-4-(1-heptyl-6,7,8-trihydroxy-3-oxo-1,4-dihydro-2-benzopyran-4-yl)-6,7,8-trihydroxy-1,4-dihydro-2-benzopyran-3-one

1-heptyl-4-(1-heptyl-6,7,8-trihydroxy-3-oxo-1,4-dihydro-2-benzopyran-4-yl)-6,7,8-trihydroxy-1,4-dihydro-2-benzopyran-3-one

C32H42O10 (586.2778)


   

13-(furan-3-yl)-5,16-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-4-yl 2-methylbut-2-enoate

13-(furan-3-yl)-5,16-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-4-yl 2-methylbut-2-enoate

C32H42O10 (586.2778)


   

(1r,2s,4r,6r,9s,10s,11s,12s,14r,15r,18r)-14-hydroxy-6-[(2s)-2-hydroxy-5-oxo-2h-furan-3-yl]-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 3-methylbut-2-enoate

(1r,2s,4r,6r,9s,10s,11s,12s,14r,15r,18r)-14-hydroxy-6-[(2s)-2-hydroxy-5-oxo-2h-furan-3-yl]-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 3-methylbut-2-enoate

C32H42O10 (586.2778)


   

(1s,3z)-4-[(2s,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

(1s,3z)-4-[(2s,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

C30H51BrO6 (586.2869)


   

6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3-dien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3-dien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

C32H42O10 (586.2778)


   

14-(acetyloxy)-15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-10-yl acetate

14-(acetyloxy)-15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-10-yl acetate

C32H42O10 (586.2778)


   

(1s)-4-[(2s,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1s)-4-[(2s,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

5-{14-[2-(acetyloxy)-5-hydroxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]tetradecyl}-4-hydroxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl acetate

5-{14-[2-(acetyloxy)-5-hydroxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]tetradecyl}-4-hydroxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl acetate

C32H42O10 (586.2778)


   

6-bromo-2-(3-hydroxy-3-{1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadec-14-en-6-yl}butyl)-3,7,7-trimethyloxepan-3-ol

6-bromo-2-(3-hydroxy-3-{1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadec-14-en-6-yl}butyl)-3,7,7-trimethyloxepan-3-ol

C30H51BrO6 (586.2869)


   

(6bs,8as,11r,12ar,12bs,14ar)-2-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-5,10-dioxo-7,8,9,11,12,12a,13,14-octahydropicen-3-yl 4-hydroxy-3-methoxybenzoate

(6bs,8as,11r,12ar,12bs,14ar)-2-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-5,10-dioxo-7,8,9,11,12,12a,13,14-octahydropicen-3-yl 4-hydroxy-3-methoxybenzoate

C36H42O7 (586.293)


   

(1s,2r,6s,7r,9r,10r,11s,12s,14r,15r,16s)-14-(acetyloxy)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-10-yl acetate

(1s,2r,6s,7r,9r,10r,11s,12s,14r,15r,16s)-14-(acetyloxy)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-10-yl acetate

C32H42O10 (586.2778)


   

3-(2-{[3-(2-carboxyethyl)-5-{[(3e)-3-ethylidene-4-methyl-5-oxo-4h-pyrrol-2-yl]methylidene}-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-[(4-ethenyl-5-hydroxy-3-methyl-2h-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl)propanoic acid

3-(2-{[3-(2-carboxyethyl)-5-{[(3e)-3-ethylidene-4-methyl-5-oxo-4h-pyrrol-2-yl]methylidene}-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-[(4-ethenyl-5-hydroxy-3-methyl-2h-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl)propanoic acid

C33H38N4O6 (586.2791)


   

(1r)-4-[(2s,4as,6s,8ar)-6-[(2r,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1r)-4-[(2s,4as,6s,8ar)-6-[(2r,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

(1s)-4-[(2r,4ar,6r,8ar)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1s)-4-[(2r,4ar,6r,8ar)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

3-[(2e)-2-{[3-(2-carboxyethyl)-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-2-yl]methylidene}-5-[(4-ethenyl-5-hydroxy-3-methyl-2h-pyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid

3-[(2e)-2-{[3-(2-carboxyethyl)-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-2-yl]methylidene}-5-[(4-ethenyl-5-hydroxy-3-methyl-2h-pyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid

C33H38N4O6 (586.2791)


   

(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O10 (586.2778)


   

(2s,3s,6r)-6-bromo-2-[(3s)-3-hydroxy-3-[(1r,3s,6r,8r,11s)-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadec-14-en-6-yl]butyl]-3,7,7-trimethyloxepan-3-ol

(2s,3s,6r)-6-bromo-2-[(3s)-3-hydroxy-3-[(1r,3s,6r,8r,11s)-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadec-14-en-6-yl]butyl]-3,7,7-trimethyloxepan-3-ol

C30H51BrO6 (586.2869)


   

(1s,2r,4s,7r,8s,11r,12s,13s,15r,17s,19r)-13,15-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate

(1s,2r,4s,7r,8s,11r,12s,13s,15r,17s,19r)-13,15-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate

C32H42O10 (586.2778)


   

1-(2,5-dihydroxy-2,5-dihydrofuran-3-yl)-10,11-dihydroxy-5-methoxy-3b,6,6,9a,11a-pentamethyl-2,9-dioxo-1h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl 3-methylbut-2-enoate

1-(2,5-dihydroxy-2,5-dihydrofuran-3-yl)-10,11-dihydroxy-5-methoxy-3b,6,6,9a,11a-pentamethyl-2,9-dioxo-1h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl 3-methylbut-2-enoate

C32H42O10 (586.2778)


   

(1s,2r,4s,7s,8s,11r,12s,13s,15r,17s,19r)-13,15-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate

(1s,2r,4s,7s,8s,11r,12s,13s,15r,17s,19r)-13,15-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate

C32H42O10 (586.2778)


   

(1r,2r,6s,7s,8r,10s,11s,12r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1e,3z)-nona-1,3-dien-1-yl]-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

(1r,2r,6s,7s,8r,10s,11s,12r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1e,3z)-nona-1,3-dien-1-yl]-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

C32H42O10 (586.2778)


   

21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O10 (586.2778)


   

3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

C33H38N4O6 (586.2791)


   

3-(2-{[(2e)-3-(2-carboxyethyl)-5-{[(2e)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-4-methylpyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

3-(2-{[(2e)-3-(2-carboxyethyl)-5-{[(2e)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-4-methylpyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

C33H38N4O6 (586.2791)


   

(1s)-4-[(1r,3r,6r,8s,11s,14r)-14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadecan-6-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1s)-4-[(1r,3r,6r,8s,11s,14r)-14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadecan-6-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

2-{3-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]but-3-en-1-yl}-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol

2-{3-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]but-3-en-1-yl}-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol

C30H51BrO6 (586.2869)


   

4-{14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadecan-6-yl}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

4-{14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadecan-6-yl}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

(1s,2r,7s,9s,11r,12s,15s,16s)-13-(acetyloxy)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-10-yl acetate

(1s,2r,7s,9s,11r,12s,15s,16s)-13-(acetyloxy)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-10-yl acetate

C32H42O10 (586.2778)


   

12,17-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl acetate

12,17-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl acetate

C32H42O10 (586.2778)


   

(1r,5r,7r,9r,10r,12s,18r,20r,22r,23s,25r)-9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-7-yl acetate

(1r,5r,7r,9r,10r,12s,18r,20r,22r,23s,25r)-9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-7-yl acetate

C32H42O10 (586.2778)


   

(1r,2r,3s,5s,6r,10r,11r,13r,17s,19s)-11,19-bis(acetyloxy)-6-(furan-3-yl)-17-hydroxy-5,10,14,14-tetramethyl-15,16-dioxapentacyclo[15.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-8-en-3-yl acetate

(1r,2r,3s,5s,6r,10r,11r,13r,17s,19s)-11,19-bis(acetyloxy)-6-(furan-3-yl)-17-hydroxy-5,10,14,14-tetramethyl-15,16-dioxapentacyclo[15.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-8-en-3-yl acetate

C32H42O10 (586.2778)


   

(1r)-4-[(1s,3s,6s,8r,11r,14s)-14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadecan-6-yl]-1-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1r)-4-[(1s,3s,6s,8r,11r,14s)-14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadecan-6-yl]-1-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

(1r,2r,4r,6s,8s,11r,12s,13r,16r,17r,19s,20r)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl acetate

(1r,2r,4r,6s,8s,11r,12s,13r,16r,17r,19s,20r)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl acetate

C32H42O10 (586.2778)


   

(1r,3br,4r,5ar,9as,9br,10s,11r,11as)-4-(acetyloxy)-11-hydroxy-1-(5-hydroxy-2-oxo-5h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl 2-hydroxy-2-methylpropanoate

(1r,3br,4r,5ar,9as,9br,10s,11r,11as)-4-(acetyloxy)-11-hydroxy-1-(5-hydroxy-2-oxo-5h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl 2-hydroxy-2-methylpropanoate

C32H42O10 (586.2778)


   

3-hydroxy-2-{[(2e,4e,6e,8e,10e,12e,14e,16e)-1-hydroxy-2,16-dimethyl-17-[(4r,5r)-5-methyl-2-[(1e)-2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]heptadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoic acid

3-hydroxy-2-{[(2e,4e,6e,8e,10e,12e,14e,16e)-1-hydroxy-2,16-dimethyl-17-[(4r,5r)-5-methyl-2-[(1e)-2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]heptadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoic acid

C33H38N4O6 (586.2791)


   

(1s,3e)-4-[(2r,4ar,6r,8ar)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

(1s,3e)-4-[(2r,4ar,6r,8ar)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

C30H51BrO6 (586.2869)


   

(2s,3s,6r)-6-bromo-2-{3-hydroxy-3-[(1r,3s,6r,8r,11s)-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadec-14-en-6-yl]butyl}-3,7,7-trimethyloxepan-3-ol

(2s,3s,6r)-6-bromo-2-{3-hydroxy-3-[(1r,3s,6r,8r,11s)-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.0³,⁸]hexadec-14-en-6-yl]butyl}-3,7,7-trimethyloxepan-3-ol

C30H51BrO6 (586.2869)


   

14-hydroxy-6-(2-hydroxy-5-oxo-2h-furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 3-methylbut-2-enoate

14-hydroxy-6-(2-hydroxy-5-oxo-2h-furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 3-methylbut-2-enoate

C32H42O10 (586.2778)


   

(1r,3e)-4-[(2s,4as,6s,8as)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

(1r,3e)-4-[(2s,4as,6s,8as)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

C30H51BrO6 (586.2869)


   

4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

4-{14-[2-(acetyloxy)-5-hydroxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]tetradecyl}-5-hydroxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl acetate

4-{14-[2-(acetyloxy)-5-hydroxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]tetradecyl}-5-hydroxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl acetate

C32H42O10 (586.2778)


   

(1r,3br,4s,5r,5as,9ar,9bs,10s,11r,11as)-1-[(2r,5s)-2,5-dihydroxy-2,5-dihydrofuran-3-yl]-10,11-dihydroxy-5-methoxy-3b,6,6,9a,11a-pentamethyl-2,9-dioxo-1h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl 3-methylbut-2-enoate

(1r,3br,4s,5r,5as,9ar,9bs,10s,11r,11as)-1-[(2r,5s)-2,5-dihydroxy-2,5-dihydrofuran-3-yl]-10,11-dihydroxy-5-methoxy-3b,6,6,9a,11a-pentamethyl-2,9-dioxo-1h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl 3-methylbut-2-enoate

C32H42O10 (586.2778)


   

(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O10 (586.2778)


   

11,19-bis(acetyloxy)-6-(furan-3-yl)-17-hydroxy-5,10,14,14-tetramethyl-15,16-dioxapentacyclo[15.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-8-en-3-yl acetate

11,19-bis(acetyloxy)-6-(furan-3-yl)-17-hydroxy-5,10,14,14-tetramethyl-15,16-dioxapentacyclo[15.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-8-en-3-yl acetate

C32H42O10 (586.2778)


   

13,15-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate

13,15-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate

C32H42O10 (586.2778)


   

(2e,4s,6r)-6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-(acetyloxy)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid

(2e,4s,6r)-6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-(acetyloxy)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid

C32H42O10 (586.2778)


   

2-(5-{5'-[(4as,7r,9ar)-7-bromo-2,6,6,9a-tetramethyl-hexahydropyrano[3,2-b]oxepin-2-yl]-2-methyl-[2,2'-bioxolan]-5-yl}-5-methyloxolan-2-yl)propan-2-ol

2-(5-{5'-[(4as,7r,9ar)-7-bromo-2,6,6,9a-tetramethyl-hexahydropyrano[3,2-b]oxepin-2-yl]-2-methyl-[2,2'-bioxolan]-5-yl}-5-methyloxolan-2-yl)propan-2-ol

C30H51BrO6 (586.2869)


   

(1r,3z)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

(1r,3z)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

C30H51BrO6 (586.2869)


   

9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-7-yl acetate

9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-7-yl acetate

C32H42O10 (586.2778)


   

(1r)-4-[(2r,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

(1r)-4-[(2r,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol

C30H51BrO6 (586.2869)


   

[(1s,3as,3bs,7r,9ar,9bs,11as)-1-[(1r)-1-[(2r,4r,5s)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-1-hydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3ah,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1s,3as,3bs,7r,9ar,9bs,11as)-1-[(1r)-1-[(2r,4r,5s)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-1-hydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3ah,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C29H46O10S (586.2812)


   

(1s,3r,4s,5s,7s,8s,9r,12s,13s,16s)-13-(furan-3-yl)-5,16-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-4-yl (2e)-2-methylbut-2-enoate

(1s,3r,4s,5s,7s,8s,9r,12s,13s,16s)-13-(furan-3-yl)-5,16-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-4-yl (2e)-2-methylbut-2-enoate

C32H42O10 (586.2778)


   

4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl 2-hydroxy-2-methylpropanoate

4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl 2-hydroxy-2-methylpropanoate

C32H42O10 (586.2778)