Exact Mass: 814.3540544
Exact Mass Matches: 814.3540544
Found 78 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
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
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
Rediocide G
A diterpenoid of the class of daphnane-type terpenes. Isolated from Trigonostemon reidioides, it exhibits cytotoxicity against various cancer cell lines.
sominone 3-O-[beta-D-glucopyranosyl(1->6)]-beta-D-glucopyranoside|withanoside IV
14alpha-benzoyloxy-15beta-hydroxy-5alpha,7beta-diisobutanoyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene
15beta,16alpha-Dihydroxy-uzarigenin-3beta-O-(beta-D-digitoxosido-4-beta-D-xylosido-4-alpha-L-rhamnosid)|15beta,16alpha-Dihydroxy-uzarigenin-3beta-O-
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>
aclacinomycin N(1+)
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
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
C45H54N2O12 (814.3676564000001)
Rediocide C
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.
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
CrocinII
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
(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
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
6,7,24,25-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
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
(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
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
(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,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
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
13-cis-crocetin β-Dgentiobiosyl-β-D-glucosyl ester
{"Ingredient_id": "HBIN001153","Ingredient_name": "13-cis-crocetin \u03b2-Dgentiobiosyl-\u03b2-D-glucosyl ester","Alias": "NA","Ingredient_formula": "C38H54O19","Ingredient_Smile": "CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39310","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,3r,4s,5s,6r,7r,9s,11r,12s,13s,15r,16s,17s,18r,20s,21s,24e,26z,28s,29r)-3,4,16,17-tetrahydroxy-15-(hydroxymethyl)-3,6,20-trimethyl-23-oxo-9-phenyl-8,10,14,22,34-pentaoxaoctacyclo[27.2.2.1⁵,⁹.0⁴,¹¹.0⁷,¹².0⁷,¹⁸.0¹³,¹⁵.0¹⁷,²¹]tetratriaconta-24,26-dien-28-yl benzoate
(1r,3r,5s,8r,9r,10r,11s,12s,13s,14r,15s,20r)-12-(acetyloxy)-8-[(r)-(acetyloxy)(furan-3-yl)methyl]-9-(2-methoxy-2-oxoethyl)-3,8,14-trimethyl-17-oxo-11-(propanoyloxy)-2,4,18,22-tetraoxaheptacyclo[12.6.1.1³,¹⁰.0¹,¹².0⁵,¹⁰.0⁵,²⁰.0¹⁵,²⁰]docosan-13-yl (2r,3s)-2,3-dimethyloxirane-2-carboxylate
2-{[(2-{[3,4-dihydroxy-5-(2-hydroxy-4-imino-5,6-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid
C32H60N6O14P2 (814.3642560000001)
7-({5-[(4-{[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
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
(24e)-3,4,16,17-tetrahydroxy-15-(hydroxymethyl)-3,6,20-trimethyl-23-oxo-9-phenyl-8,10,14,22,34-pentaoxaoctacyclo[27.2.2.1⁵,⁹.0⁴,¹¹.0⁷,¹².0⁷,¹⁸.0¹³,¹⁵.0¹⁷,²¹]tetratriaconta-24,26-dien-28-yl benzoate
(5s,8s,9r,10s,14r,15s,20r)-12-(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-9-(2-methoxy-2-oxoethyl)-3,8,14-trimethyl-17-oxo-11-(propanoyloxy)-2,4,18,22-tetraoxaheptacyclo[12.6.1.1³,¹⁰.0¹,¹².0⁵,¹⁰.0⁵,²⁰.0¹⁵,²⁰]docosan-13-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
4-(7-{[5-({3,4-dihydroxy-5-[(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
(6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,4s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2e,4e,6e,8e,10e,12e,14e)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
(6r)-6-[(1s)-1-[(1s,2s,4s,5r,7s,9s,10s,11s,14r,15r,18s)-5,9-dihydroxy-10,14-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-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
(2s,3r,4s,5s,6r)-2-{[(2r,4r,8s,13r,15r,19s)-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
(1r,2r,3r,4r,6r,8s,9z,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,2s,3r,5r,6e,10s,11s,13r,14s,15s,16r,18s,19s,20r,21r,22s,24s,26r,27s,28r,30s)-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
2-({[(1s,4r,5r)-2-{[(2s,3s,4r,5r)-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)