Exact Mass: 594.2676
Exact Mass Matches: 594.2676
Found 247 metabolites which its exact mass value is equals to given mass value 594.2676
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Isobebeerin
Isochondrodendrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. Isochondrodendrine is a natural product found in Cissampelos pareira, Stephania elegans, and other organisms with data available.
Curine
Curine is an aromatic ether. Curine is a natural product found in Cissampelos pareira, Cyclea barbata, and other organisms with data available.
Chondrocurine
Aceroside VIII
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
(3beta,16beta,17alpha,18beta,20alpha)-17-hydroxy-11-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-yohimban-16-carboxylic acid, methyl ester|ent-17beta-Hydroxy-11-methoxy-18alpha-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carbonsaeure-methylester|ent-17beta-hydroxy-11-methoxy-18alpha-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carboxylic acid methyl ester|neonorreserpine|reserpine
6-Sulfate-(3beta, 4beta, 5alpha, 6alpha, 7beta, 15alpha, 24E)-Cholest-24-ene-3, 4, 5, 6, 7, 8, 14, 15, 26-nonol
O6,O6-didemethyl-1alphaH-cycleanine|O6,O6-Didesmethyl-1alphaH-cycleanin
(+)-2,2-bisnorguattaguianine|1-Epimer,O7-Me,N2,N2-di-de-Me-Tiliageine
(3R)-1,7-bis-(4-dihydroxyphenyl)-3-heptanol 3-O-beta-D-glucopyranosyl(1->3)-beta-D-xylopyranoside
6,7-dimethoxy-2,2-dimethyl-(1alphaH)-thalicberane-7,12-diol|7-O-Demethylisothalicberin|O7-demethyl-isothalicberine
ent18alpha-Hydroxy-11-methoxy-17beta-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carbonsaeure-methylester|ent18alpha-hydroxy-11-methoxy-17beta-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carboxylic acid methyl ester
6-Deacetyl-12beta-hydroxyscilliroside|6-desacetyl-12beta-hydroxy-scilliroside
9,21,26-Trimethoxy-15-methyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.2~3,6~.1~8,12~.0~14,19~.0~18,23~.0~28,32~]hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-dodecaen-22-ol
6,7-dimethoxy-2,2-dimethyl-(1betaH)-thalmane-6,12-diol|Dryadodaphnin|Dryadodaphnine
(7S,7R,8R,8S)-7-butoxy-7,9-epoxy-4,4,9-trihydroxy-3,3-dimethoxylignane 9-O-beta-D-glucopyranoside
C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_major
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_minor
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol_major
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_62.5\\%
Glu Gln Arg Tyr
Glu Gln Tyr Arg
Glu Arg Gln Tyr
Glu Arg Tyr Gln
Glu Tyr Gln Arg
Glu Tyr Arg Gln
Phe Gly Trp Trp
Phe Trp Gly Trp
Phe Trp Trp Gly
Gly Phe Trp Trp
Gly Trp Phe Trp
Gly Trp Trp Phe
Lys Met Met Trp
Lys Met Trp Met
Lys Trp Met Met
Met Lys Met Trp
Met Lys Trp Met
Met Met Lys Trp
Met Met Trp Lys
Met Trp Lys Met
Met Trp Met Lys
Gln Glu Arg Tyr
Gln Glu Tyr Arg
Gln Arg Glu Tyr
Gln Arg Tyr Glu
Gln Tyr Glu Arg
Gln Tyr Arg Glu
Arg Glu Gln Tyr
Arg Glu Tyr Gln
Arg Gln Glu Tyr
Arg Gln Tyr Glu
Arg Tyr Glu Gln
Arg Tyr Gln Glu
Trp Phe Gly Trp
Trp Phe Trp Gly
Trp Gly Phe Trp
Trp Gly Trp Phe
Trp Lys Met Met
Trp Met Lys Met
Trp Met Met Lys
Trp Trp Phe Gly
Trp Trp Gly Phe
Tyr Glu Gln Arg
Tyr Glu Arg Gln
Tyr Gln Glu Arg
Tyr Gln Arg Glu
Tyr Arg Glu Gln
Tyr Arg Gln Glu
1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
ST 24:5;O7;Hex
6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (S)-
(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
4,4,4-trifluoro-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
1-[(4R,7R,8S)-5-[(2-chlorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-methoxyphenyl)urea
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol
(1s,14r)-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaene-9,21-diol
(1r,14s)-6,20,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-21-ol
(1s,2s,3s,4s,5r,8r,9s,11r,12z,17r)-2,9-bis(acetyloxy)-4,5-dihydroxy-12-(hydroxymethyl)-4,8,17-trimethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
(1r,2s,3e,5r,7s,8z,10r,13s)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
5-[(1r,3ar,3bs,5r,7s,9ar,9br,11r,11as)-3a,3b,5,11-tetrahydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
2,9,10,13-tetrakis(acetyloxy)-5,11-dihydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-7-yl acetate
9,20,25-trimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-21-ol
(1r,14s)-20,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaene-6,21-diol
(1r,16s)-9,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaene-10,21-diol
5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2¹³,¹⁶.1³,⁷.1¹⁸,²².0¹¹,³⁶.0²⁶,³³]hexatriaconta-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-dodecaene-4,19-diol
(1r,2s,3z,5s,7s,8e,10r,13s)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(12s,25r)-5,20-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2¹⁴,¹⁷.1¹⁹,²³.0³,⁸.0⁷,¹².0²⁹,³³]hexatriaconta-1(32),3(8),4,6,14,16,19(34),20,22,29(33),30,35-dodecaene-4,31-diol
(9r)-3-(4-{[(1s)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}phenoxy)-15-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,16-diol
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1s,14r)-20,21,25-trimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaen-9-ol
1beta-dehydroxy-4alpha-deacetylbaccatin iv
{"Ingredient_id": "HBIN002386","Ingredient_name": "1beta-dehydroxy-4alpha-deacetylbaccatin iv","Alias": "1\u03b2-dehydroxy-4\u03b1-deacetylbaccatin iv","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)(CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25935;4983","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-deacetyltaxachitriene a
{"Ingredient_id": "HBIN005507","Ingredient_name": "2-deacetyltaxachitriene a","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)O)COC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "594.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100927232","DrugBank_id": "NA"}
2'-northaliphylline
{"Ingredient_id": "HBIN006146","Ingredient_name": "2'-northaliphylline","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "NA","Ingredient_weight": "594.7","OB_score": "11.87244045","CAS_id": "105418-70-0","SymMap_id": "SMIT10004","TCMID_id": "NA","TCMSP_id": "MOL008781","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-northalmine
{"Ingredient_id": "HBIN006147","Ingredient_name": "2-northalmine","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=C3C(=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)OC)O","Ingredient_weight": "594.7 g/mol","OB_score": "35.65989007","CAS_id": "10148-79-3","SymMap_id": "SMIT10005","TCMID_id": "NA","TCMSP_id": "MOL008782","TCM_ID_id": "NA","PubChem_id": "180979","DrugBank_id": "NA"}
(+)-2-northalrugosine
{"Ingredient_id": "HBIN006148","Ingredient_name": "(+)-2-northalrugosine","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6)OC)O)OC)OC","Ingredient_weight": "594.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15795","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "13890733","DrugBank_id": "NA"}
5alpha-deacetylbaccatin
{"Ingredient_id": "HBIN011416","Ingredient_name": "5alpha-deacetylbaccatin","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26032","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-deacetylbaccatini
{"Ingredient_id": "HBIN011417","Ingredient_name": "5\u03b1-deacetylbaccatini","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-epicanadense
{"Ingredient_id": "HBIN011529","Ingredient_name": "5-epicanadense","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aceroside viii
{"Ingredient_id": "HBIN014385","Ingredient_name": "aceroside viii","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "C1C(C(C(O1)OCC2C(C(C(C(O2)OC(CCCCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)O","Ingredient_weight": "594.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "46889081","DrugBank_id": "NA"}
aromoline
{"Ingredient_id": "HBIN016902","Ingredient_name": "aromoline","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC","Ingredient_weight": "594.7","OB_score": "NA","CAS_id": "519-53-9","SymMap_id": "NA","TCMID_id": "1769","TCMSP_id": "NA","TCM_ID_id": "6628;10102;17710;17711;21678","PubChem_id": "362574","DrugBank_id": "NA"}
(+)-aromoline
{"Ingredient_id": "HBIN016903","Ingredient_name": "(+)-aromoline","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC","Ingredient_weight": "594.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1770","TCMSP_id": "NA","TCM_ID_id": "11773","PubChem_id": "362574","DrugBank_id": "NA"}
baluchistine
{"Ingredient_id": "HBIN017567","Ingredient_name": "baluchistine","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)O","Ingredient_weight": "594.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "10167;12371;15551","PubChem_id": "102247461","DrugBank_id": "NA"}