Exact Mass: 696.2549
Exact Mass Matches: 696.2549
Found 30 metabolites which its exact mass value is equals to given mass value 696.2549,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Tallimustine
4-{4-[bis(2-chloroethyl)amino]benzamido}-N-[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
Arctigenin 4-O-β-gentiobioside
Arctigenin-4'-beta-gentiobiosid
Arctigenin 4-O-beta-gentiobioside is a natural product found in Trachelospermum asiaticum with data available.
trans-4,5-dihydroxy-3-methoxystilbene-5-O-{alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->6)]}-beta-D-glucopyranoside
trans-4,5-dihydroxy-3-methoxystilbene-5-O-{alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->6)]}-beta-D-glucopyranoside
<4-(3-beta-D-glucopyranosyloxy-1-Z-propenyl)-2,6-dimethoxyphenyl>-6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
<4-(3-beta-D-glucopyranosyloxy-1-Z-propenyl)-2,6-dimethoxyphenyl>-6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
(2S,4R)-5,7-dihydroxy-4,4-dimethoxy-6,8-dimethylflavan-5-O-beta-D-6-acetylglucopyranoside-7-O-beta-D-glucopyranoside
(2S,4R)-5,7-dihydroxy-4,4-dimethoxy-6,8-dimethylflavan-5-O-beta-D-6-acetylglucopyranoside-7-O-beta-D-glucopyranoside
Tallimustine
Tallimustine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D004214 - Distamycins D009676 - Noxae > D000477 - Alkylating Agents
(1r,2s,3r,6r,8s,9s,13s,14r,15r,16s,17r)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-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-carboxylic acid
(1r,2s,3r,6r,8s,9s,13s,14r,15r,16s,17r)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-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-carboxylic acid
3-[(3,4-dimethylpent-2-enoyl)oxy]-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-carboxylic acid
3-[(3,4-dimethylpent-2-enoyl)oxy]-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-carboxylic acid
2-[(3,4-dihydroxy-6-{3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol
2-[(3,4-dihydroxy-6-{3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol
arctigenin 4'-gentiobioside
NA
{"Ingredient_id": "HBIN016611","Ingredient_name": "arctigenin 4'-gentiobioside","Alias": "NA","Ingredient_formula": "C33H44O16","Ingredient_Smile": "COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1622","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
(3r,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
3-[(2-{4-[({[5-chloro-2-(diethylcarbamoyl)phenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]piperidin-1-yl}-1-hydroxyethylidene)amino]-n-(2,6-difluorophenyl)-4-methylbenzenecarboximidic acid
3-[(2-{4-[({[5-chloro-2-(diethylcarbamoyl)phenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]piperidin-1-yl}-1-hydroxyethylidene)amino]-n-(2,6-difluorophenyl)-4-methylbenzenecarboximidic acid
7-chloro-3-({6-hydroxy-1,4-dimethoxy-7-[4-(2-methoxy-2-oxoethyl)-6-methyl-1,3-dioxan-2-yl]-3-oxo-1h-2-benzofuran-5-yl}methoxy)-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
7-chloro-3-({6-hydroxy-1,4-dimethoxy-7-[4-(2-methoxy-2-oxoethyl)-6-methyl-1,3-dioxan-2-yl]-3-oxo-1h-2-benzofuran-5-yl}methoxy)-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
methyl (1r,2s,3r,6r,8s,9s,13s,14r,15r,16s,17s)-15,16-dihydroxy-9,13-dimethyl-3-{[(2e)-3-methylpent-2-enoyl]oxy}-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,8s,9s,13s,14r,15r,16s,17s)-15,16-dihydroxy-9,13-dimethyl-3-{[(2e)-3-methylpent-2-enoyl]oxy}-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
(2r,3r,4s,5s,6r)-2-{[(2z)-3-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2z)-3-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2e)-3-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2e)-3-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
(3,4,5-trihydroxy-6-{[4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}oxan-2-yl)methyl acetate
(3,4,5-trihydroxy-6-{[4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}oxan-2-yl)methyl acetate
2-{[3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 15,16-dihydroxy-9,13-dimethyl-3-[(3-methylpent-2-enoyl)oxy]-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
methyl 15,16-dihydroxy-9,13-dimethyl-3-[(3-methylpent-2-enoyl)oxy]-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
(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-6-{3-[(1e)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-6-{3-[(1e)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
(3r,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
(3r,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,4r)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}oxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,4r)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-5-yl]oxy}oxan-2-yl]methyl acetate
(1as,3r,4r,4ar,7s,8as)-7-chloro-3-{[(1s)-6-hydroxy-1,4-dimethoxy-7-[(2s,4s,6s)-4-(2-methoxy-2-oxoethyl)-6-methyl-1,3-dioxan-2-yl]-3-oxo-1h-2-benzofuran-5-yl]methoxy}-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
(1as,3r,4r,4ar,7s,8as)-7-chloro-3-{[(1s)-6-hydroxy-1,4-dimethoxy-7-[(2s,4s,6s)-4-(2-methoxy-2-oxoethyl)-6-methyl-1,3-dioxan-2-yl]-3-oxo-1h-2-benzofuran-5-yl]methoxy}-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
