Exact Mass: 642.2028812
Exact Mass Matches: 642.2028812
Found 119 metabolites which its exact mass value is equals to given mass value 642.2028812
,
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)
C38H34N4O6 (642.2478224000001)
(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
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
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.
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-8-yl]-2-O-[(4-hydroxy-3.5-dimethoxyphenyl)carbonyl]-D-glucitol|hispidulin 8-C-(2-O-syringoyl-beta-D-glucopyranoside)
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
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
(E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin)
C38H34N4O6 (642.2478224000001)
(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
C38H34N4O6 (642.2478224000001)
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
(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
C38H34N4O6 (642.2478224000001)
(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
C30H39ClO13 (642.2079074000001)
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"}
6''-o-p-hydroxybenzoyliridin
{"Ingredient_id": "HBIN012713","Ingredient_name": "6''-o-p-hydroxybenzoyliridin","Alias": "NA","Ingredient_formula": "C31H30O15","Ingredient_Smile": "COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)COC(=O)C5=CC=C(C=C5)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15814","TCMID_id": "9825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3r,4s,5r,6r)-2-{5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2,3-dimethoxy-4-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[5-({6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate
[3-acetyl-4,5,7,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-10-yl]methyl acetate
[(1s,2s,3s,4s,5r,6s,7s,9r,10r,12r)-3-acetyl-4,5,7,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-10-yl]methyl acetate
methyl (1r,2s,3r,6r,8s,13s,14r,15r,16s)-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
methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s,17s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[(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-9-ene-17-carboxylate
(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's,16'r)-2',12',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-14'-yl 3-methylbutanoate
1,4',5',8,9',10-hexahydroxy-2',6-dimethyl-10-(3,4,5-trihydroxyoxan-2-yl)-[2,9'-bianthracene]-9,10'-dione
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3,4-dimethoxybenzoate
(2s,3r,4s,5s,6r)-2-{[(2s,4r)-4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-5-{[(2s,3r,4s,5s,6r)-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
2',12',14'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-16'-yl 3-methylbutanoate
(2s)-2,3-dihydroxypropyl (9r,9's)-4,4',5,5',7-pentahydroxy-2'-methoxy-2,7'-dimethyl-10,10'-dioxo-9h,9'h-[9,9'-bianthracene]-3-carboxylate
methyl 3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-{[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-trihydroxy-6-{[5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl 4-hydroxybenzoate
4a-{[9,10a-dihydroxy-3-(2-hydroxyethyl)-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-4a-yl]sulfanyl}-9,10a-dihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-{4-[(1r)-1,2-dihydroxyethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate
(1s,3s,4as,10ar)-4a-{[(1s,3s,4as,10ar)-9,10a-dihydroxy-3-(2-hydroxyethyl)-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-4a-yl]sulfanyl}-9,10a-dihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(2r,4'as,8'ar)-3'-chloro-5'-[(1r,2r,3z,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
(1s,2s,3r,4r,7r,8s,10z,12s,13r,14s,16r,17s)-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
C30H39ClO13 (642.2079074000001)