Exact Mass: 642.2101
Exact Mass Matches: 642.2101
Found 140 metabolites which its exact mass value is equals to given mass value 642.2101
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(E,E)-4,4'-Bi(N-4-hydroxycinnamoylserotonin)
(E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin) is found in fats and oils. (E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin) is isolated from safflower (Carthamus tinctorius) oil cake. Isolated from safflower (Carthamus tinctorius) oil cake. (E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin) is found in fats and oils and herbs and spices.
(3R)-7,2,5-Trihydroxy-3,4-dimethoxyisoflavan 2,5-O-diglucoside
Brartemicin
A glycosyl glycoside derivative that consists of alpha,alpha-trehalose substituted at positions 6 and 6 by O-2,4-dihydroxy-6-methylbenzoyl groups. It is isolated from the culture broth of actinomycete, Nonomuraea, and has antitumor activity.
7-hydroxy-2,3,4,5-tetramethoxy-1-O-primeverosyloxyxanthone
(1R,2S,3S,4S,5S,6R,7R,9S,10R)-1,2,3,6,9,12,15-heptaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran
1-Acetoxy-8-benzoyloxy-9,14-di(nicotinoyloxy)dihydro-alpha-agarofuran
4-(1,2-dihydroxyethyl)-2-methoxyphenyl 1-O-beta-D-[5-O-(3,4-dimethoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
(-)-10-C-(beta-D-Xylopyranosyl)-1,1,8,8,10,10-hexahydroxy-3,3-dimethyl-10,7-bianthracene-9,9-dione|(-)-10-C--1,1,8,8,10,10-hexahydroxy-3,3-dimethyl-10,7-bianthracene-9,9-dione
3-Methoxy-4-chloro-5-(2-(2,5-dihydroxy-3-(3-methyl-2-butenyl)-3,4-epoxycyclohexane-1-ylidene)ethenyl)-5,7-dimethyl-5-hydroxy-4,8-dioxospiro[bicyclo[2.2.2]octane-7,2-[4H][1,3]benzodioxin]-2-ene-1-carboxylic acid methyl ester
5,7,4-trihydroxy-2-nonyl-3-carboxaldehyde-[2,3:2,3]-3-O-beta-D-galactopyranosyl furanoflavonoid|houttuynoid A
5,7,4-trihydroxy-3-decanonyl-[1,2:2,3]-3-O-beta-D-galactopyranosyl furanoflavonoid|houttuynoid C
(2,3-trans)-3-[(2,7-dihydroxy-4-methoxyphenanthren-1-yl)methyl]-2-(4-hydroxy-3-methoxyphenyl)-10-methoxy-2,3,4,5-tetrahydrophenanthro[2,1-b]furan-7-ol
(1S,1S,3aR,3aR,5S,6S,14bS,14bS)-1,1,4,5,5,6,8,8,9,9,14b,14b-dodecahydro-1,1-dihydroxy-2,2-dimethoxy-4H,6H-5,6-bicyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]-benzazepin-6-one|cephalancetine C
1-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-8-hydroxy-2,3,4,5-tetramethoxyxanthone
8-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-1-hydroxy-2,3,4,5-tetramethoxyxanthone
Yadanzioside F
CID 72955 is a natural product found in Brucea javanica with data available.
juncenolide J|Juncin F|rel-(1R,2R,3aR,4S,8S,8aS,9S,11R,12aS,13S,13aR)-8,9,13-tris(acetyloxy)-4-chlorotetradecahydro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxospiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2-oxiran]-11-yl 3-methylbutanoate
8-[5-(5-Hydroxy-2,3-dihydro-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dimethoxyphenyl]-5-hydroxy-2,3-dihydro-7-methoxy-2-(1,3-benzodioxole-5-yl)-4H-1-benzopyran-4-one
1beta-acetoxy-9alpha-benzoyloxy-2beta,6alpha-dinicotinoyloxy-beta-dihydroagarofuran|heterophylline
5-{carboxy[4-(beta-D-glucopyranosyloxy)-3-hydroxy-5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(3-methylbut-2-en-1-yl)phenyl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid|sabphenoside D
Yadanzioside I
4-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid
AVE6324
CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4359; ORIGINAL_PRECURSOR_SCAN_NO 4358 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4382; ORIGINAL_PRECURSOR_SCAN_NO 4380 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4387; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4387; ORIGINAL_PRECURSOR_SCAN_NO 4384 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8995; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9013; ORIGINAL_PRECURSOR_SCAN_NO 9012 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9032; ORIGINAL_PRECURSOR_SCAN_NO 9031 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9027; ORIGINAL_PRECURSOR_SCAN_NO 9025 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9037; ORIGINAL_PRECURSOR_SCAN_NO 9034
Asp His Trp Trp
Asp Trp His Trp
Asp Trp Trp His
His Asp Trp Trp
His Trp Asp Trp
His Trp Trp Asp
Trp Asp His Trp
Trp Asp Trp His
Trp His Asp Trp
Trp His Trp Asp
Trp Trp Asp His
Trp Trp His Asp
(E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin)
(R)-1-{(S)-2-[DI(1-NAPHTHYL)PHOSPHINO]FERROCENYL}ETHYLDI-TERT.-BUTYLPHOSPHINE
(1R)-1-[(ethoxycarbonyl)oxy]ethyl 1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-2-{[1-(propan-2-yl)piperidin-4-yl]carbamoyl}-1H-indole-5-carboxylate
[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-(4-aminophenyl)-1-deoxy-5-[1-alpha-D-ribofuranosyl 5-phosphate]-D-ribitol
6-({4,5-Dihydroxy-2-[hydroxy({2,3,4-trihydroxy-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl})methyl]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid
n-{2-[5,5'-dihydroxy-3'-(2-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1h,1'h-[4,4'-biindol]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
methyl (1s,3s,6r,7s)-7-chloro-4-[(1r,2r,5s,6s)-2-(2,6-dihydroxy-4-methylbenzoyloxy)-5-hydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3-hydroxy-8-methoxy-6-methyl-2-oxotricyclo[4.3.1.0³,⁷]deca-4,8-diene-1-carboxylate
2-{[4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(8s,9s,10s,11r)-8-(benzoyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate
n-{1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbut-2-enimidic acid
(2e)-n-{2-[5,5'-dihydroxy-3'-(2-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1h,1'h-[4,4'-biindol]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
(2r,4'ar,8'as)-3'-chloro-5'-[(1r,2r,3e,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]-5-hydroxy-8'a-(2-hydroxyacetyl)-4'-methoxy-7,7'-dimethyl-4'a,8'-dihydrospiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione
2,14,16,17-tetrakis(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-12-yl acetate
8-(benzoyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate
2-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}prop-1-en-1-yl)-3-(1-hydroxyethenyl)-6-(3,4,5-trihydroxyphenyl)pyran-4-one
(9's,10r)-1,4',5',8,9',10-hexahydroxy-2',6-dimethyl-10-[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-[2,9'-bianthracene]-9,10'-dione
methyl 18'-chloro-5,8'-dihydroxy-17'-methoxy-7,13'-dimethyl-5'-(3-methylbut-2-en-1-yl)-4-oxo-2',3',6'-trioxaspiro[1,3-benzodioxine-2,19'-hexacyclo[13.3.1.0¹,¹¹.0⁴,¹⁰.0⁵,⁷.0¹³,¹⁸]nonadecane]-9',11'-diene-15'-carboxylate
methyl (1r,2s,3r,6r,8s,9s,13s,14r,15r,16s,17s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate
3,4,5-trimethoxyphenyl1-o-β-d-[5-o-(3,4-dimethoxybenzoyl)]-apio-furanosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN007301","Ingredient_name": "3,4,5-trimethoxyphenyl1-o-\u03b2-d-[5-o-(3,4-dimethoxybenzoyl)]-apio-furanosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C29H38O16","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21909","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5'-hydroxy-isomucronulatol-2',5'-di-o-glucoside
{"Ingredient_id": "HBIN011686","Ingredient_name": "5'-hydroxy-isomucronulatol-2',5'-di-o-glucoside","Alias": "NA","Ingredient_formula": "C29H38O16","Ingredient_Smile": "COC1=C(C=C(C(=C1OC)OC2C(C(C(C(O2)CO)O)O)O)C3CC4=C(C=C(C=C4)O)OC3)OC5C(C(C(C(O5)CO)O)O)O","Ingredient_weight": "642.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15689654","DrugBank_id": "NA"}