Exact Mass: 676.3822
Exact Mass Matches: 676.3822
Found 24 metabolites which its exact mass value is equals to given mass value 676.3822,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Actein
[(1S,1R,2S,3R,4R,4R,5R,5R,6R,10S,12S,13S,16R,18S,21R)-2-hydroxy-1,4,6,12,17,17-hexamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3-yl] acetate
Actein is a triterpenoid. It has a role as a metabolite. Actein is a natural product found in Actaea elata, Actaea cimicifuga, and other organisms with data available. See also: Black Cohosh (part of). A natural product found in Actaea racemosa.
(23R,24R)-16beta,23;16alpha,24-diepoxy-12beta-acetoxy-cycloart-7-en-3beta,15alpha,25-triol 3-O-beta-D-xylopyranoside
(23R,24R)-16beta,23;16alpha,24-diepoxy-12beta-acetoxy-cycloart-7-en-3beta,15alpha,25-triol 3-O-beta-D-xylopyranoside
3beta-O-(beta-D-glucuronopyranosyl)-olean-12-ene-28,29-dioic acid 29-methyl ester|coryternic acid 3-O-beta-D-glucuronopyranoside
3beta-O-(beta-D-glucuronopyranosyl)-olean-12-ene-28,29-dioic acid 29-methyl ester|coryternic acid 3-O-beta-D-glucuronopyranoside
(5R)-3-O-[(2E)-3-carboxyprop-2-enoyl]-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4R,6R,9S,10S,11R,12R,14R)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4,5-dimethyl-beta-L-erythro-pentopyranose
(5R)-3-O-[(2E)-3-carboxyprop-2-enoyl]-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4R,6R,9S,10S,11R,12R,14R)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4,5-dimethyl-beta-L-erythro-pentopyranose
Hygrolidin
Hygrolidin
A macrolide consisting resulting from the formal lactonisation of the carboxy group of (2E,4E,6R,7S,8S,10E,12E,14S,15R,16S,17R,18S)-18-[(2R,4R,5S,6R)-4-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2-hydroxy-5,6-dimethyltetrahydro-2H-pyran-2-yl]-7,15,17-trihydroxy-14-methoxy-2,4,6,8,10,16-hexamethylnonadeca-2,4,10,12-tetraenoic acid with the hydroxy group at position 15. It is active against SV40 tumour cells, and inhibits the growth of solid tumour-derived cell lines such as DLD-1 human colon cancer cells with increased cells in G1 and S phases.
(1s,1'r,2r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,1'r,2r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
acetylacetol 3-o-arabinoside
NA
{"Ingredient_id": "HBIN014443","Ingredient_name": "acetylacetol 3-o-arabinoside","Alias": "NA","Ingredient_formula": "C37H56O11","Ingredient_Smile": "NA","Ingredient_weight": "676.843","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7225","PubChem_id": "NA","DrugBank_id": "NA"}
21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-19,23-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹⁶,²⁴.0¹⁸,²²]pentacos-2-en-14-yl acetate
21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-19,23-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹⁶,²⁴.0¹⁸,²²]pentacos-2-en-14-yl acetate
7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosane-8,2'-oxiran]-13-en-3-yl acetate
7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosane-8,2'-oxiran]-13-en-3-yl acetate
(1s,3r,3's,4r,5r,6s,7r,8r,10s,12s,16r,18s,21r)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosane-8,2'-oxiran]-13-en-3-yl acetate
(1s,3r,3's,4r,5r,6s,7r,8r,10s,12s,16r,18s,21r)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosane-8,2'-oxiran]-13-en-3-yl acetate
(1s,1'r,2r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,1'r,2r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,3r,3's,4r,5r,6s,7r,8s,10s,12s,16r,18s,21r)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosane-8,2'-oxiran]-13-en-3-yl acetate
(1s,3r,3's,4r,5r,6s,7r,8s,10s,12s,16r,18s,21r)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosane-8,2'-oxiran]-13-en-3-yl acetate
(1r,1'r,2r,3'r,4s,4'r,5s,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1r,1'r,2r,3'r,4s,4'r,5s,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1'r,2r,4'r,5s,5'r,10's,12's,13's,16'r,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1'r,2r,4'r,5s,5'r,10's,12's,13's,16'r,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,1'r,2r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,1'r,2r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
