Exact Mass: 446.1941
Exact Mass Matches: 446.1941
Found 228 metabolites which its exact mass value is equals to given mass value 446.1941
,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Estrone glucuronide
Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456) [HMDB] Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8325
Cubebininolide
Cubebininolide is found in herbs and spices. Cubebininolide is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebininolide is found in herbs and spices.
5'-O-Methylmelledonal
5-O-Methylmelledonal is found in mushrooms. 5-O-Methylmelledonal is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). 5-O-Methylmelledonal is found in mushrooms.
Ochrocarpin G
A furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, a 2-hydroxypropan-2-yl group at position 8, 2-methylbutanoyl group at position 6 and a (1R)-1-(acetyloxy)propyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
[3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
Desaspidin
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,3,5-trimethoxy-4,5-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid
7-O-acetyldunnianin|rel-(1R,4aS,6S,7S,8S,8aS,9S)-6-(acetyloxy)-8-[(benzoyloxy)methyl]hexahydro-7,8a-dihydroxy-7,8,9-trimethyl-1,4a-ethano-4aH-2-benzopyran-3(4H)-one
(5S,8R,9S,10R)-2S,7R-diacetoxy-15,16-epoxy-12R-hydroxycleroda-3,13(16),14-trien-18,19-olide|salvigresin
O1-{4-[(1R,2S)-1-Aethyl-2-(4-hydroxy-phenyl)-butyl]-phenyl}-beta-D-glucopyranuronsaeure|O1-{4-[(1R,2S)-1-ethyl-2-(4-hydroxy-phenyl)-butyl]-phenyl}-beta-D-glucopyranuronic acid
9-O-Acetyl-(7R,8S,7R,8S)-(-)-fargesol|9-O-acetyl-(7S,8R,7S,8S)-(-)-fargesol
(4E)-2alpha,15-Diacetoxy-8beta-tigloyloxycostunolid
(3S,4aR,5S,6R,6aR,10aS,10bR)-5,6-bis(acetyloxy)-1,2,4a,5,6a,7a,10a,10b-octahydro-4a,6a,10b-trimethyl-7-methylenespiro[furan-3(2H),3-[3H]naphtho[2,1-b]pyran]-5,8(4H,6H)-dione|barbatellarine E
salvicin A|[(2S,3R,4R)-4-hydroxy-4-(4-hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl butyrate
rel-(1R,4S,5R,7S,8R)-Delta2,8-4-acetoxy-4-hydroxy-3,5,3,5-tetramethoxy-6-oxo-8.1,7.5-neolignan
6-(2-(acetoxymethyl)-6-hydroxy-4-methylphenoxy)-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid|penikellide B
(7R,8R,8S)-7-(2,4,5-trimethoxyphenyl)-4,7alpha,8-trimethoxy-8,8-dimethyl-2,5-quinone
(1S,2S,3S,4S,5S,9R,10S,12S,13S)-1,12-acetoxy-2,3-hydroxy-6-oxopimara-7-(8),15-dien-18-oic acid 2,18-lactone|1,3-(epoxymethano)acetic acid 6-acetoxy-2-hydroxy-1,4a,7-trimethyl-10,12-dione-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-4-yl ester|chenopodolin
5-[2-hydroxy-3-methyl-3-(propan-2-yloxy)butoxy]-9-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one|furanocoumarin|oncosepalin A
6-acetyl-6-benzoylhexahydro-8-hydroxy-8a-(1-hydroxy-1-methylethyl)-2,8-dimethyl-7-oxo-2H-cyclopent[b]oxepin-4-carboxylic acid|hypertricone
michaolide D
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
caesalpinin D
A diterpenoid lactone isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.
erythro-2,3-Bis(4-acetoxy-3-methoxyphenyl)-3-ethoxypropan-1-ol acetate
6-aldehyde-1alpha,19-diacetoxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide|isodojaponin E
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one
9beta-isovaleryloxyhelenalin-<2,3-epoxyisobutyrate>
1-(3,4-Dihydroxyphenyl)-7-(3-methoxy-4-hydroxyphenyl)-3,5-diacetoxyheptane
(3beta)-3-(acetyloxy)-14-O-benzoyl-10-deoxyfloridanolide|rel-(4R,5R,6R,6aR,7S,9R,9aR)-7-(acetyloxy)-6-[(benzoyloxy)methyl]-hexahydro-5,6a-dihydroxy-5,6,9-trimethyl-4H-4,9a-methanocyclopent[d]oxocin-2(1H)-one
2,3-Bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diol 1,4-diacetate
9-O-Acetyl-fargesol
9-O-Acetyl-fargesol is a natural product found in Magnolia kobus and Magnolia praecocissima with data available.
Methylpseudolarate B
Estrone-3-(beta-D-glucuronide) - CASMI2016 Category 1 - Challenge 15
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
C24H30O8_Dispiro[furan-3(2H),1(5H)-naphthalene-5,2-oxiran]-4(6H)-one, 2-(acetyloxy)-4a-[(acetyloxy)methyl]-5-(3-furanyl)octahydro-2-methyl-, (2S,2R,3R,4aS,5S,5R,8aR)
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based: Match]
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based on: CCMSLIB00000848284]
Estrone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones The 3-beta-D-glucuronide of estrone.
5'-O-Methylmelledonal
1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan
Ochrocarpin F
A furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, a 2-hydroxypropan-2-yl group at position 8, 2-methylbutanoyl group at position 6 and a (1S)-1-(acetyloxy)propyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-{[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}cyclohexa-2,4-dien-1-one
(3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-9-[(3-methylbutanoyl)oxy]-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2s)-2-methyloxirane-2-carboxylate
(3r,4r)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
2-butanoyl-4-[(2,6-dihydroxy-3,3-dimethyl-4-oxo-5-propanoylcyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
(3ar,4r,9s,9ar)-6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
8-(acetyloxy)-7-ethenyl-16-hydroxy-1,7,11-trimethyl-3,15-dioxo-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadec-4-en-12-yl acetate
(2r,3r,4s,5s,6r)-2-[(7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(4ar,4br,7r,8ar,9r,10ar)-3-(acetyloxy)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bh-phenanthren-9-yl acetate
(1s,2r,3'r,4'bs,8'ar,9's,10's)-3'-(acetyloxy)-10'-hydroxy-2,4'b,8',8'-tetramethyl-1',4',7'-trioxo-3',5',6',8'a,9',10'-hexahydrospiro[cyclopropane-1,2'-phenanthren]-9'-yl acetate
6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
(2r,4'as,5'r,5''s,6'r,8'r,8'ar)-8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
methyl (1r,7s,8s,9s)-7-(acetyloxy)-9-[(1e,3e)-5-methoxy-4-methyl-5-oxopenta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-ene-4-carboxylate
2-butanoyl-6-[(3-butanoyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
6-(acetyloxy)-2-formyl-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-ylmethyl acetate
(1r,3ar,4s,6ar)-1,4-bis(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
methyl 3-[(1s)-1-(acetyloxy)-3-methylbutyl]-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxybenzoate
4-[(1s,3ar,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-tetrahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
(1s,9s,15r,16r,17s)-4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-8-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,10,13-pentaen-12-one
(1s,2r,5s,6r,8r,9s,10r,11s,12s)-9-(acetyloxy)-12-hydroxy-2,5,6,12-tetramethyl-3-oxo-7,16-dioxapentacyclo[9.7.0.0²,⁸.0⁶,⁸.0¹³,¹⁷]octadeca-13(17),14-dien-10-yl acetate
4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-8-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,10,13-pentaen-12-one
16-acetoxycoleon u 11-acetate
{"Ingredient_id": "HBIN001783","Ingredient_name": "16-acetoxycoleon u 11-acetate","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC(COC(=O)C)C1=C(C2=C(C(=C1O)OC(=O)C)C3(CCCC(C3=C(C2=O)O)(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "146","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-teucjaponin b
{"Ingredient_id": "HBIN012175","Ingredient_name": "6-acetyl-teucjaponin b","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)COC(=O)C)OC(=O)C","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "524","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3036767","DrugBank_id": "NA"}
9'-o-acetyl-(7r,8s,7r,8s)-(?)-fargesol
{"Ingredient_id": "HBIN014148","Ingredient_name": "9'-o-acetyl-(7r,8s,7r,8s)-(?)-fargesol","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "394","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
albaspidin pb
{"Ingredient_id": "HBIN015070","Ingredient_name": "albaspidin pb","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CCCC(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)CC2C(=O)C(C(=O)C(C2=O)(C)C)C(=O)CC","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "853","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91936206","DrugBank_id": "NA"}
barbatusin
{"Ingredient_id": "HBIN017595","Ingredient_name": "barbatusin","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCC(=O)C4(C)C)C)OC(=O)C)O)OC(=O)C","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6426;21736","PubChem_id": "71676379","DrugBank_id": "NA"}