Exact Mass: 684.2782
Exact Mass Matches: 684.2782
Found 38 metabolites which its exact mass value is equals to given mass value 684.2782,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
trichagmalin D
trichagmalin D
A limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.
(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based on: CCMSLIB00000847776]
NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based on: CCMSLIB00000847776]
(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based: Match]
NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based: Match]
Met Trp Trp Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Met Trp Tyr Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Met Tyr Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Met Trp Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Met Tyr Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Trp Met Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Trp Tyr Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid
Trp Tyr Met Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Tyr Trp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid
Tyr Met Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Trp Met Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Trp Trp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid
2-Guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2H-pyrazol-3-YL}-piperidin-1-YL)-2-oxo-ethyl]-amide
2-Guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2H-pyrazol-3-YL}-piperidin-1-YL)-2-oxo-ethyl]-amide
1-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
(1R)-N,N-Bis(4-hydroxyphenethyl)-1beta-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-7-hydroxy-1,2-dihydronaphthalene-2alpha,3-dicarboxamide
(1R)-N,N-Bis(4-hydroxyphenethyl)-1beta-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-7-hydroxy-1,2-dihydronaphthalene-2alpha,3-dicarboxamide
1,2-dihydro-6,8-dimethoxy-7-1-(3,5-dimethoxy-4-hydroxyphenyl)-N1,N2- bis-［2-(4-hydroxyphenyl)ethyl］-2,3-naphthalene dicarboxamide
NA
{"Ingredient_id": "HBIN000796","Ingredient_name": "1,2-dihydro-6,8-dimethoxy-7-1-(3,5-dimethoxy-4-hydroxyphenyl)-N1,N2- bis-\uff3b2-(4-hydroxyphenyl)ethyl\uff3d-2,3-naphthalene dicarboxamide","Alias": "NA","Ingredient_formula": "C38H40N2O10","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41394","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]-3-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}-6,8-dimethoxy-1,2-dihydronaphthalene-2-carboximidic acid
7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]-3-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}-6,8-dimethoxy-1,2-dihydronaphthalene-2-carboximidic acid
(8s,11s,14s)-14-(2-{[(2r)-2-{[(2r)-1,3-dihydroxy-2-(n-methylacetamido)propylidene]amino}-1-hydroxypropylidene]amino}-n-methylacetamido)-3,10,13,18-tetrahydroxy-11-methyl-9,12-diazatricyclo[13.3.1.1²,⁶]icosa-1(19),2(20),3,5,9,12,15,17-octaene-8-carboxylic acid
(8s,11s,14s)-14-(2-{[(2r)-2-{[(2r)-1,3-dihydroxy-2-(n-methylacetamido)propylidene]amino}-1-hydroxypropylidene]amino}-n-methylacetamido)-3,10,13,18-tetrahydroxy-11-methyl-9,12-diazatricyclo[13.3.1.1²,⁶]icosa-1(19),2(20),3,5,9,12,15,17-octaene-8-carboxylic acid
(1r,2s,3s,4r,5r,7s,8s,9s,10s,11r,12r,14s,15s)-2,8,12-tris(acetyloxy)-7-hydroxy-5,9,12-trimethyl-16-oxo-4-(propanoyloxy)-18-oxapentacyclo[7.7.2.0¹,¹⁰.0³,⁷.0¹¹,¹⁴]octadecan-15-yl benzoate
(1r,2s,3s,4r,5r,7s,8s,9s,10s,11r,12r,14s,15s)-2,8,12-tris(acetyloxy)-7-hydroxy-5,9,12-trimethyl-16-oxo-4-(propanoyloxy)-18-oxapentacyclo[7.7.2.0¹,¹⁰.0³,⁷.0¹¹,¹⁴]octadecan-15-yl benzoate
(1s,2s)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]-3-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}-6,8-dimethoxy-1,2-dihydronaphthalene-2-carboximidic acid
(1s,2s)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]-3-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}-6,8-dimethoxy-1,2-dihydronaphthalene-2-carboximidic acid
(3s,3ar,4s,9as,9br)-3,6-dimethyl-2,7-dioxo-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-[(3as,5r)-8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3ah-azulen-5-yl]prop-2-enoate
(3s,3ar,4s,9as,9br)-3,6-dimethyl-2,7-dioxo-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-[(3as,5r)-8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3ah-azulen-5-yl]prop-2-enoate
(1ar,3s,3ar,4r,5r,6r,7as)-6-[(2s,3r,4r)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3h-oxepin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (3r)-3-methyl-2-oxopentanoate
(1ar,3s,3ar,4r,5r,6r,7as)-6-[(2s,3r,4r)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3h-oxepin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (3r)-3-methyl-2-oxopentanoate
2,8,12-tris(acetyloxy)-7-hydroxy-5,9,12-trimethyl-16-oxo-4-(propanoyloxy)-18-oxapentacyclo[7.7.2.0¹,¹⁰.0³,⁷.0¹¹,¹⁴]octadecan-15-yl benzoate
2,8,12-tris(acetyloxy)-7-hydroxy-5,9,12-trimethyl-16-oxo-4-(propanoyloxy)-18-oxapentacyclo[7.7.2.0¹,¹⁰.0³,⁷.0¹¹,¹⁴]octadecan-15-yl benzoate
(1r,2r,3r,4s,5s,7r,9r,11s)-1,2,8,16-tetrakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxytetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-11-yl acetate
(1r,2r,3r,4s,5s,7r,9r,11s)-1,2,8,16-tetrakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxytetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-11-yl acetate
(1r,2r,3r,4s,5s,7r,9r)-1,8,16-tris(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxytetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-2-yl 2-(acetyloxy)acetate
(1r,2r,3r,4s,5s,7r,9r)-1,8,16-tris(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxytetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-2-yl 2-(acetyloxy)acetate
(1s,2r,4r,5s,9r,10r,13r,14s,15s,17s)-1-(acetyloxy)-15-[(1r)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate
(1s,2r,4r,5s,9r,10r,13r,14s,15s,17s)-1-(acetyloxy)-15-[(1r)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate
(3s,3ar,4s,9as,9bs)-3,6-dimethyl-2,7-dioxo-9-({[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-[(3as,5r)-8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3ah-azulen-5-yl]prop-2-enoate
(3s,3ar,4s,9as,9bs)-3,6-dimethyl-2,7-dioxo-9-({[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-[(3as,5r)-8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3ah-azulen-5-yl]prop-2-enoate
