Exact Mass: 454.22050620000005
Exact Mass Matches: 454.22050620000005
Found 41 metabolites which its exact mass value is equals to given mass value 454.22050620000005,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Cardivin D
Cardivin D
A germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon).
[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Me glycoside, 2-benzyl,3,4-O-isopropylidene-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, Benzyl glycoside,2-benzyl,3,4-O-isopropylidene-Alpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
Me glycoside, 2-benzyl,3,4-O-isopropylidene-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, Benzyl glycoside,2-benzyl,3,4-O-isopropylidene-Alpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
Valeriandoid F
[(1R,6R,7S,7Ar)-4-(acetyloxymethyl)-7-hydroxy-7-(methoxymethyl)-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylbutanoate
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
A 1,2-diacyl-sn-glycero-3-phosphocholine having caproyl and 5-oxovaleryl groups at the 1- and 2-positions respectively.
(3ar,4s,6s,8s,10r,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-4-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl 2-methylpropanoate
(3ar,4s,6s,8s,10r,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-4-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl 2-methylpropanoate
11-homohydroxyldidrovaltrate
NA
{"Ingredient_id": "HBIN000429","Ingredient_name": "11-homohydroxyldidrovaltrate","Alias": "NA","Ingredient_formula": "C23H34O9","Ingredient_Smile": "CCC(C)CC(=O)OCC1=COC(C2C1(CC(C23CO3)OC(=O)C)O)OC(=O)CC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9609","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3-[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxy-4-[(2-methylbut-2-enoyl)oxy]cyclohexyl 2,3-dimethylbut-2-enoate
3-[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxy-4-[(2-methylbut-2-enoyl)oxy]cyclohexyl 2,3-dimethylbut-2-enoate
(1r,2s,3r,7r,8s,9r,10r,13r)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-2-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-8-yl 2-methylpropanoate
(1r,2s,3r,7r,8s,9r,10r,13r)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-2-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-8-yl 2-methylpropanoate
(3as,4s,5r,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
(3as,4s,5r,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
(3as,4s,6s,8s,10s,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
(3as,4s,6s,8s,10s,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
[(2r,3s,4s,5r,6r)-6-{[(4s)-4-[(3ar,7ar)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6r)-6-{[(4s)-4-[(3ar,7ar)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(3ar,4r,5r,6r,10r,11r,11as)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
(3ar,4r,5r,6r,10r,11r,11as)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-2-yl 2-methylpropanoate
1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-2-yl 2-methylpropanoate
(3,4,5-trihydroxy-6-{[4-(6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl]oxy}oxan-2-yl)methyl acetate
(3,4,5-trihydroxy-6-{[4-(6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl]oxy}oxan-2-yl)methyl acetate
(3ar,4r,5r,6r,10r,11r,11as)-5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
(3ar,4r,5r,6r,10r,11r,11as)-5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
5,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
(3as,4s,5s,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
(3as,4s,5s,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
[3,4,5-trihydroxy-6-({3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl}oxy)oxan-2-yl]methyl acetate
[3,4,5-trihydroxy-6-({3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl}oxy)oxan-2-yl]methyl acetate
8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylpropanoate
[(2r,3s,4s,6s)-6-{[(3s,3as,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,6s)-6-{[(3s,3as,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,5r,7as,8r,9ar)-3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s,3ar,5r,7as,8r,9ar)-3,5,8-trimethyl-2-oxo-3h,3ah,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl 3-methylpentanoate
6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl 3-methylpentanoate
(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl (3r)-3-methylpentanoate
(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl (3r)-3-methylpentanoate
(2s,3r,4s,5s,6r)-2-[(3'ar,4'r,7'ar)-4'-hydroxy-2',2',4',6'-tetramethyl-1',3'a-dihydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(2s,3r,4s,5s,6r)-2-[(3'ar,4'r,7'ar)-4'-hydroxy-2',2',4',6'-tetramethyl-1',3'a-dihydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
[(2r,3s,4s,5r,6r)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6r)-6-{[(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(1r,2s,3r,7r,8s,9s,10r,13s)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-2-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-8-yl 2-methylpropanoate
(1r,2s,3r,7r,8s,9s,10r,13s)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-2-[(2-methylpropanoyl)oxy]-5-oxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradecan-8-yl 2-methylpropanoate
(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl (3s)-3-methylpentanoate
(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a-hydroxy-1-[(3-methylbutanoyl)oxy]-1,5,6,7a-tetrahydrospiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl (3s)-3-methylpentanoate
[6-({3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[6-({3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,9-dioxo-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
[(2r,3s,4s,5r,6s)-6-{[(3s,3as,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(3s,3as,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-2-oxo-octahydro-3h-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(1r,2s,3r,4r,5r,6r)-3-[(2,3-dimethylbut-2-enoyl)oxy]-2,4,5-trihydroxy-6-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl 2,3-dimethylbut-2-enoate
(1r,2s,3r,4r,5r,6r)-3-[(2,3-dimethylbut-2-enoyl)oxy]-2,4,5-trihydroxy-6-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl 2,3-dimethylbut-2-enoate