Exact Mass: 814.3540544

Exact Mass Matches: 814.3540544

Found 49 metabolites which its exact mass value is equals to given mass value 814.3540544, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Tricrocin

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

C38H54O19 (814.3259134)


Tricrocin is a water soluble crocetin glycoside, a carotenoid pigment of saffron (Crocus sativus L.) that has been used as a spice for flavoring and coloring food preparations, and in Chinese traditional medicine as an anodyne or tranquilizer. Saffron is now used worldwide in folk medicine and is reputed to be useful in treating various human disorders such as heart and blood disorders. Stroke and heart attack are involved in reputed folkloric uses of saffron. Saffron is orally administrated as a decoction. Saffron extract exerts a protective effect on renal ischemia reperfusion induced oxidative damage in rats. (PMID: 17215084). Crocetin esters present in saffron stigmas and in Gardenia jasminoides Ellis fruit are the compounds responsible for their color. (PMID: 16448211). Beta-D-gentiobiosyl beta-D-glucosyl crocetin is a diester resulting from the formal condensation of the carboxylic acid group of beta-D-gentiobiosyl crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is a beta-D-glucoside and a diester. Crocetin gentiobiosylglucosyl ester is a natural product found in Gardenia jasminoides and Crocus sativus with data available. Isolated from saffron (Crocus sativus) Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1]. Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1].

   

Crocin

Crocetin gentiobiosylglucosyl ester

C38H54O19 (814.3259134)


Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1]. Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1].

   
   
   
   

RA-XI

3-[24-Hydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-7-yl]propanoic acid

C42H50N6O11 (814.353739)


   

Rediocide G

Rediocide G

C46H54O13 (814.3564234)


A diterpenoid of the class of daphnane-type terpenes. Isolated from Trigonostemon reidioides, it exhibits cytotoxicity against various cancer cell lines.

   
   
   

Antibiotic BA 12100B

Antibiotic BA 12100B

C41H50O17 (814.304785)


   

sominone 3-O-[beta-D-glucopyranosyl(1->6)]-beta-D-glucopyranoside|withanoside IV

sominone 3-O-[beta-D-glucopyranosyl(1->6)]-beta-D-glucopyranoside|withanoside IV

C40H62O17 (814.3986802)


   
   

4-Me ether-Antibiotic WIN 66306

4-Me ether-Antibiotic WIN 66306

C42H54N8O9 (814.4013554)


   

14alpha-benzoyloxy-15beta-hydroxy-5alpha,7beta-diisobutanoyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene

14alpha-benzoyloxy-15beta-hydroxy-5alpha,7beta-diisobutanoyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene

C43H58O15 (814.3775518)


   

15beta,16alpha-Dihydroxy-uzarigenin-3beta-O-(beta-D-digitoxosido-4-beta-D-xylosido-4-alpha-L-rhamnosid)|15beta,16alpha-Dihydroxy-uzarigenin-3beta-O-

15beta,16alpha-Dihydroxy-uzarigenin-3beta-O-(beta-D-digitoxosido-4-beta-D-xylosido-4-alpha-L-rhamnosid)|15beta,16alpha-Dihydroxy-uzarigenin-3beta-O-

C40H62O17 (814.3986802)


   
   
   
   

Strophanthidin-3beta-O-(6-desoxy-beta-D-allosido-4-beta-D-xylosido-3beta-D-apiosid)|Strophanthidin-3beta-O-<6-desoxy-beta-D-allosido-4-beta-D-xylosido-3beta-D-apiosid>

Strophanthidin-3beta-O-(6-desoxy-beta-D-allosido-4-beta-D-xylosido-3beta-D-apiosid)|Strophanthidin-3beta-O-<6-desoxy-beta-D-allosido-4-beta-D-xylosido-3beta-D-apiosid>

C39H58O18 (814.3622968)


   
   
   

aclacinomycin N(1+)

aclacinomycin N(1+)

C42H56NO15+ (814.3649766)


An anthracycline cation that is the conjugate acid of aclacinomycin N, obtained by protonation of the tertiary amino group.

   

methyl (2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoate

methyl (2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoate

C45H54N2O12 (814.3676564000001)


   

(2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoic acid

(2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoic acid

C45H54N2O12 (814.3676564000001)


   

Rediocide C

Rediocide C

C46H54O13 (814.3564234)


A natural product found in Trigonostemon thyrsoideum. A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon thyrsoideum and has been shown to exhibit acaricidal activity.

   

Trigonosin F, (rel)-

Trigonosin F, (rel)-

C46H54O13 (814.3564234)


A natural product found in Trigonostemon thyrsoideum.

   

Trigonosin E, (rel)-

Trigonosin E, (rel)-

C46H54O13 (814.3564234)


A natural product found in Trigonostemon thyrsoideum.

   

1-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

1-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

C38H54O19 (814.3259134)


   

CrocinII

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

C38H54O19 (814.3259134)


Beta-D-gentiobiosyl beta-D-glucosyl crocetin is a diester resulting from the formal condensation of the carboxylic acid group of beta-D-gentiobiosyl crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is a beta-D-glucoside and a diester. Crocetin gentiobiosylglucosyl ester is a natural product found in Gardenia jasminoides and Crocus sativus with data available. Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1]. Crocin II is isolated from the fruit of Gardenia jasminoides with antioxidant, anticancer, and antidepressant activity. Crocin II inhibits NO production with an IC50 value of 31.1 μM. Crocin II suppresses the expressions of protein and m-RNA of iNOS and COX-2[1].

   
   
   
   
   
   
   
   
   

(1s,7s,10s,19s,22s,25s,28s,36r)-10-benzyl-8,11,20,23,36-pentahydroxy-22-[(1r)-1-hydroxyethyl]-25-(2-methylpropyl)-3,9,12,15,21,24,27,29-octaazahexacyclo[25.10.0.0³,⁷.0¹⁵,¹⁹.0²⁸,³⁶.0³⁰,³⁵]heptatriaconta-8,11,20,23,30,32,34-heptaene-2,14,26-trione

(1s,7s,10s,19s,22s,25s,28s,36r)-10-benzyl-8,11,20,23,36-pentahydroxy-22-[(1r)-1-hydroxyethyl]-25-(2-methylpropyl)-3,9,12,15,21,24,27,29-octaazahexacyclo[25.10.0.0³,⁷.0¹⁵,¹⁹.0²⁸,³⁶.0³⁰,³⁵]heptatriaconta-8,11,20,23,30,32,34-heptaene-2,14,26-trione

C42H54N8O9 (814.4013554)


   

(2r,3r,5s,6e,10s,11s,13r,14s,15s,16r,18s,19s,20r,21r,22s,26r,27s,28r)-14,15,27,28-tetrahydroxy-11,16,21,28-tetramethyl-8-oxo-24-phenyl-4,9,17,23,25,35-hexaoxanonacyclo[28.2.2.1²⁰,²⁴.0³,⁵.0¹⁰,¹⁴.0¹³,²⁰.0¹⁶,¹⁸.0¹⁹,²⁶.0²²,²⁷]pentatriacont-6-en-2-yl benzoate

(2r,3r,5s,6e,10s,11s,13r,14s,15s,16r,18s,19s,20r,21r,22s,26r,27s,28r)-14,15,27,28-tetrahydroxy-11,16,21,28-tetramethyl-8-oxo-24-phenyl-4,9,17,23,25,35-hexaoxanonacyclo[28.2.2.1²⁰,²⁴.0³,⁵.0¹⁰,¹⁴.0¹³,²⁰.0¹⁶,¹⁸.0¹⁹,²⁶.0²²,²⁷]pentatriacont-6-en-2-yl benzoate

C46H54O13 (814.3564234)


   

2-{[(2-{[3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid

2-{[(2-{[3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid

C31H56N6O15P2 (814.3278726000001)


   

6-[1-(5,9-dihydroxy-10,14-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl)ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one

6-[1-(5,9-dihydroxy-10,14-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl)ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one

C40H62O17 (814.3986802)


   

6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

C46H54O13 (814.3564234)


   

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanoic acid

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanoic acid

C42H50N6O11 (814.353739)


   

(1r,2r,3r,4r,6r,8s,9e,12s,13s,14r,15s)-3,4,6,12,13,14-hexakis(acetyloxy)-4,8,11,11-tetramethyl-7,18-dioxo-19-oxatricyclo[13.4.0.0²,⁶]nonadec-9-en-15-yl benzoate

(1r,2r,3r,4r,6r,8s,9e,12s,13s,14r,15s)-3,4,6,12,13,14-hexakis(acetyloxy)-4,8,11,11-tetramethyl-7,18-dioxo-19-oxatricyclo[13.4.0.0²,⁶]nonadec-9-en-15-yl benzoate

C41H50O17 (814.304785)


   

4-[(1r,2s,3r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,4s,5s,6r)-5-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-2,3,3a-trihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

4-[(1r,2s,3r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,4s,5s,6r)-5-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-2,3,3a-trihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C40H62O17 (814.3986802)


   

(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C39H58O18 (814.3622968)


   

(1r,2s,3s,5r,6s,7s,8r,10s,11s,14z,16z,18r,19s,22r,24r,25s,26r,28s,30s,31r,33s)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

(1r,2s,3s,5r,6s,7s,8r,10s,11s,14z,16z,18r,19s,22r,24r,25s,26r,28s,30s,31r,33s)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

C46H54O13 (814.3564234)


   

2-({8,19-dibutyl-4,15-dichloro-21,24,26-trihydroxy-2,13-dimethoxytricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9(26),10,12(25),20,23-hexaen-10-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-({8,19-dibutyl-4,15-dichloro-21,24,26-trihydroxy-2,13-dimethoxytricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9(26),10,12(25),20,23-hexaen-10-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C42H64Cl2O11 (814.3825454)