Exact Mass: 682.3845643999999
Exact Mass Matches: 682.3845643999999
Found 70 metabolites which its exact mass value is equals to given mass value 682.3845643999999
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3-O-beta-Glucosylplatycodigenin
3-O-Beta-D-Glucopyranosylplatycodigenin is an oleanane-type triterpenoid isolated from roots of Platycodon grandiflorum. 3-O-Beta-D-Glucopyranosylplatycodigenin exhibits anti-proliferative activities against HSC-T6 cell line with an IC50 of 13.36 μM[1].
28-O-beta-D-glucopyranosyl-6beta,23-dihydroxytormentic acid
(2alpha,3beta,12beta)-3-(beta-D-glucopyranosyloxy)-2,12,21-trihydroxy-19-oxo-18,19-secours-13(18)-en-28-oic acid|bodinioside A
(2beta,3beta,9beta,10alpha,16alpha,20xi,24xi)-20,24-epoxy-2-(beta-D-glucopyranosyloxy)-3,16,25,26-tetrahydroxy-9-methyl-19-norlanost-5-en-11-one
2alpha,3beta,19alpha,23,30-pentahydroxyurs-12-en-28-oic acid-28-O-beta-D-glucopyranosyl ester
2-O-beta-D-glucopyranosido-23,24-dihydrocucurbitacin F|hemsamabilinin B
17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
C36H58O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19,23,24-pentahydroxy-28-oxoolean-12-en-28-yl]
C36H58O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,6beta,9xi,18xi,19alpha)-2,3,6,19,23-pentahydroxy-28-oxoolean-12-en-28-yl]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,8R,9R,10R,11R,12aR)-1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]
17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000847134]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,8R,9R,10R,11R,12aR)-1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate_major
(4R,9?)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholest-5-en-1-yl ?-D-glucopyranoside
2,3,16,20,25-Pentahydroxycucurbita-5-ene-11,22-dio
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
C36H59O10P (682.3845643999999)
[1-Octanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] nonanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] dodecanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] tetradecanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] pentadecanoate
[1-Heptanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] decanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] tridecanoate
[1-Hexanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] undecanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
C36H59O10P (682.3845643999999)
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
C36H59O10P (682.3845643999999)
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
C36H59O10P (682.3845643999999)
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
C36H59O10P (682.3845643999999)
2-[(8s,11s,14r)-3,6,9,12,15,18-hexahydroxy-8-(1h-indol-3-ylmethyl)-17-isopropyl-11,14-bis(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H50N8O7 (682.3802270000001)
(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
1-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
3-o-β-d-glucopyranosyl platycodigenin
{"Ingredient_id": "HBIN009225","Ingredient_name": "3-o-\u03b2-d-glucopyranosyl platycodigenin","Alias": "NA","Ingredient_formula": "C36H58O12","Ingredient_Smile": "CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(CO)CO)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15631","TCMID_id": "8710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,12-dihydroxy-2-(2-hydroxy-3-methyl-4-oxopentyl)-4a,4b,7,7,10a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5,6,6a,8,9,10,10b,11,12-decahydro-3h-chrysene-2-carboxylic acid
2-[(8s,11s,14r)-3,6,9,12,15,18-hexahydroxy-8-(1h-indol-3-ylmethyl)-14-isopropyl-11-(2-methylpropyl)-17-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H50N8O7 (682.3802270000001)
2-[3,6,9,12,15,18-hexahydroxy-8-(1h-indol-3-ylmethyl)-14-isopropyl-11-(2-methylpropyl)-17-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H50N8O7 (682.3802270000001)
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4ar,6as,6br,8r,8ar,9s,10r,11r,12ar,12br,14bs)-1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(4as,6as,6br,8r,8ar,10s,12as,12br,13s,14bs)-8,13-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
2-[(2s,8s,11s,14r,17s)-17-[(2r)-butan-2-yl]-3,6,9,12,15,18-hexahydroxy-8-(1h-indol-3-ylmethyl)-14-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H50N8O7 (682.3802270000001)
(1r,2r,3as,3bs,7r,8s,9ar,9br,11ar)-1-[(2s,5r)-5-[(2s)-1,2-dihydroxypropan-2-yl]-2-methyloxolan-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4ar,6as,6br,8r,8ar,9r,10r,11r,12ar,12br,14bs)-1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
2-[(2s,8s,11s,14r,17s)-3,6,9,12,15,18-hexahydroxy-8-(1h-indol-3-ylmethyl)-17-isopropyl-11,14-bis(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H50N8O7 (682.3802270000001)
(2s,3s,4s,5r,6r)-6-{[(3s,4r,4ar,6ar,6bs,8s,8ar,9r,10r,12as,14ar,14br)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
8,13-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4ar,6as,6br,8ar,10r,11r,12ar,12br,14bs)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,2r,4as,6as,6br,8ar,10r,11r,12ar,12br,14bs)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,2r,4as,6as,6br,8r,8ar,9r,10r,11r,12ar,12br,14br)-1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,2r,4as,6as,6br,8ar,10r,11r,12as,12br,14bs)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
2-[3,6,9,12,15,18-hexahydroxy-8-(1h-indol-3-ylmethyl)-17-isopropyl-11,14-bis(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H50N8O7 (682.3802270000001)