Exact Mass: 446.3217
Exact Mass Matches: 446.3217
Found 500 metabolites which its exact mass value is equals to given mass value 446.3217
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Dehydroteasterone
Constituent of wheat grains Triticum aestivum. 3-Dehydroteasterone is found in many foods, some of which are american cranberry, calabash, spearmint, and quinoa. 3-Dehydroteasterone is found in cereals and cereal products. 3-Dehydroteasterone is a constituent of wheat grains Triticum aestivum.
2-Hydroxy-2,2-bis[2-oxo-2-[[4-[(3-aminopropyl)amino]butyl]amino]ethyl]acetic acid
12-Ketoporrigenin
(3beta,5alpha,6beta,25S)-3,6-Dihydroxyspirostan-12-one is found in onion-family vegetables. (3beta,5alpha,6beta,25S)-3,6-Dihydroxyspirostan-12-one is a constituent of Allium porrum (leek) Constituent of Allium porrum (leek). 12-Ketoporrigenin is found in onion-family vegetables.
Taccagenin
Taccagenin is found in root vegetables. Taccagenin is a constituent of Tacca leontopetaloides (Polynesian arrowroot).
Leontogenin
Leontogenin is found in root vegetables. Leontogenin is a constituent of Tacca leontopetaloides (Polynesian arrowroot). Constituent of Tacca leontopetaloides (Polynesian arrowroot). Leontogenin is found in root vegetables.
24-Oxo-1alpha,23,25-trihydroxyvitamin D3
This compound belongs to the family of Vitamin D and Derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
3-Hydroxysintaxanthin
Isolated from the peel of Sinton citrangequat. 3-Hydroxysintaxanthin is found in sweet orange, citrus, and avocado. 3-Hydroxysintaxanthin is found in avocado. 3-Hydroxysintaxanthin is isolated from the peel of Sinton citrangequa
Neoporrigenin B
Porrigenin B is found in onion-family vegetables. Porrigenin B is a constituent of Allium porrum (leeks) Constituent of Allium porrum (leeks). Neoporrigenin B is found in onion-family vegetables.
3,5,9-Trihydroxyergost-7-en-6-one
3,5,9-Trihydroxyergost-7-en-6-one is found in mushrooms. 3,5,9-Trihydroxyergost-7-en-6-one is isolated from the fungi Lentinus edodes (shiitake), Hypsizygus marmoreus (bunashimeji), Pleurotus ostreatus (tree oyster) and Pholiota nameko (nameko). Isolated from the fungi Lentinus edodes (shiitake), Hypsizygus marmoreus (bunashimeji), Pleurotus ostreatus (tree oyster) and Pholiota nameko (nameko). 3,5,9-Trihydroxyergost-7-en-6-one is found in mushrooms.
(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol
(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol is found in mushrooms. (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol is a constituent of Grifola frondosa (maitake) Constituent of Grifola frondosa (maitake). (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol is found in mushrooms.
(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol
(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol is found in mushrooms. (3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol is a constituent of edible mushrooms including Lentinus edodes (shiitake), Flammulina velutipes (enokitake), Hypsizygus marmoreus (bunashimeji), Pleurotus ostreatus (tree oyster) and Pholiota nameko (nameko)
Secasterone
Secasterone is found in cereals and cereal products. Secasterone is a constituent of Secale cerale seeds (rye). Constituent of Secale cerale seeds (rye). Secasterone is found in cereals and cereal products and rye.
13'-Carboxy-gamma-tocopherol
13-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 13-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk. 13-Carboxy-gama-tocopherol is a dehydrogenation carboxylate product of 13-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Spirotaccagenin
Spirotaccagenin is found in root vegetables. Spirotaccagenin is a constituent of Tacca leontopetaloides (Polynesian arrowroot) Constituent of Tacca leontopetaloides (Polynesian arrowroot). Spirotaccagenin is found in root vegetables.
Menahydroquinone-4
Octadecyl ferulate
Octadecyl ferulate belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Octadecyl ferulate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Octadecyl ferulate can be found in potato, which makes octadecyl ferulate a potential biomarker for the consumption of this food product.
carpipramine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(25S)-spirost-5-en-1beta,3beta,14alpha-triol|namogenin B
3beta,6alpha,11-trihydroxy-24-methylene-9,11-seco-5alpha-cholest-7-en-9-one|9,11-seco-3beta,6alpha,11-trihydroxy-24-methylene-5alpha-cholest-7-en-9-one|9-oxo-9,11-seco-24-methylenecholest-7-ene-3beta,6alpha,11-triol
(22R,23S)-17alpha,23-epoxy-3beta,22,24xi-trihydroxy-27,28-bisnorlanost-8-ene
24-methylenecholest-5-en-1alpha,3beta,11alpha,18-tetrol
(-)-(3S,13Z)-1-(3,4-dihydroxyphenyl)-3-hydroxydocos-13-en-5-one
24xi-methyl-1alpha,3beta,11alpha-trihydroxycholest-5-en-18-al
8alpha-hydroxy,23alpha-O-ethyl-23,6alpha-epoxy-labd-13(14),17-dien-16(R),19-olide
24-methylcholesta-7,22E-diene-3beta,5alpha,6beta,25-tetraol
12-Ac-12,16-Dihydroxy-20,24-dimethyl-25-nor-24-scalaranone|12alpha-acetoxy-16beta-hydroxy-20,24-dimethyl-24-oxo-25-norscalarane
(3beta,20S,22R,24S)-16,24:20,24-diepoxycholest-5-ene-3,22,25-triol|3,22,25-trihydroxy-16-24,20-24-bisepoxy-(3beta,16alpha,20S,22R,24S)-cholest-5-ene
3-Me ether-(2beta,3alpha,5beta,25R)-Spirostane-2,3-diol
24-methylene-1alpha,3beta,11alpha-trihydroxy-5alpha-cholestan-18-al
3beta,11-dihydroxy-5beta,6beta-epoxy-24-methylene-9,11-secocholestan-9-one
(3beta,5alpha,6alpha,20R,22R,23S,24S)-22,23-epoxy-3,6,20-trihydroxy-24-methylcholest-9(11)-ene
3alpha-acetoxy-15-hydroxy-18-tigloyloxy-ent-labda-8(17),13E-diene
3alpha,9alpha-di-pent-2E-enoyloxy-8alpha-hydroxy-7beta,10alphaH-eremophil-11-ene
(3beta,5alpha,6beta)-ergosta-22,24(28)-diene-3,5,6,19-tetrol
(2alpha,3bata,5alpha,25R)-Spirost-8(14)-ene-2,3,5-triol
(4R,5S,E)-13-((R)-6-hydroxy-2,8-dimethylchroman-2-yl)-2,6,10-trimethyltrideca-2,6-diene-4,5,10-triol
1-O-stearoyl-beta-D-glucopyranose|1-O-stearoyl-beta-D-glucopyranoside|1beta-O-Stearoyl-D-glucopyranose|n-octadecanoyl beta-D-glucopyranoside
(20S)-5,24(28)-ergostadiene-3beta,7alpha,16beta,20-tetrol
(22E)-24-norcholest-22-ene-3beta,5alpha,6beta-triol 3-acetate|muriflasteroid A
3beta,5alpha,6beta-trihydroxyergost-24(28)-en-1-one
(22E,24R)-3beta,5beta,6alpha,7alpha-tetrahydroxy-8alpha,9alpha-dihydroergosta-14,22-diene|fomentarol B
3beta,9alpha,14alpha-trihydroxycholest-7-en-6,23-dione|grandol G
(23S,25R,26R)-spirost-5-en-3beta,23,26-triol|indiosides M
ent-19-(3-Hydroxy-3-methylglutaroyloxy)beyer-15-en-methyl ester
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, octadecyl ester
(2alpha,3bata,5alpha,25R)-Spirost-7-ene-2,3,5-triol
3alpha,16beta,20,22-tetrahydroxyergosta-5,24(28)-diene
24-methylene cholest-5-en-3beta,7beta,9alpha,19-tetrol
(22E,24R)-ergosta-8(14),22-diene-3beta,5alpha,6beta,7alpha-tetrol
(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethylchryseno[1,2-c]furan-1,4,13-triol 1-acetate|hyrtiosin D
2,5-dihydroxy-3-(Z-16-henecosenyl)-6-methyl-1,4-benzoquinone|kiritiquinone
(25S)-spirost-5-ene-3beta,17alpha,27-triol|25(S)-spirost-5-en-3beta,7alpha,27-triol
3beta,5alpha,6beta-trihydroxy-(22E,24R)-ergost-22-en-7-one
(5alpha,12beta,17beta)-12-hydroxy-17-[(2S,5S)-5-methoxy-2-methyltetrahydrofuran-2-yl]-4,4,8,10,14-pentamethylgonan-3-one|12beta-hydroxy-3-oxo-24alpha-methoxy-25,26,27-trinordammara-20,24-epoxy|cylindrictone C
11beta-acetoxy-8alpha-hydroxy-12alpha-senecioyloxy-ent-pimar-15-ene
(E)-4-(3,4-dimethoxyphenyl)but-3-en-1-yl palmitate|(E)-4-(3,4-dimethoxyphenyl)-but-3-en-1-yl palmitate|(E)-4-(3,4-dimethoxyphenyl)but-3-en-1-yl palmitate
Tetraethylene glycol di(2-ethylhexanoate)
CONFIDENCE standard compound; INTERNAL_ID 1350; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10650; ORIGINAL_PRECURSOR_SCAN_NO 10646 CONFIDENCE standard compound; INTERNAL_ID 1350; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10656; ORIGINAL_PRECURSOR_SCAN_NO 10653 CONFIDENCE standard compound; INTERNAL_ID 1350; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10668; ORIGINAL_PRECURSOR_SCAN_NO 10664 CONFIDENCE standard compound; INTERNAL_ID 1350; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10695; ORIGINAL_PRECURSOR_SCAN_NO 10693 CONFIDENCE standard compound; INTERNAL_ID 1350; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10687; ORIGINAL_PRECURSOR_SCAN_NO 10684 CONFIDENCE standard compound; INTERNAL_ID 1350; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10700; ORIGINAL_PRECURSOR_SCAN_NO 10696
(24R)-24-fluoro-1α,25-dihydroxyvitamin D2 / (24R)-24-fluoro-1α,25-dihydroxyergocalciferol
(24S)-24-fluoro-1α,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1α,25-dihydroxyergocalciferol
(23S,25R)-1α,25-dihydroxyvitamin D3 26,23-lactol / (23S,25R)-1α,25-dihydroxycholecalciferol 26,23-lactol
(5Z,7E)-(1S,3R,23R)-1,3,23,25-tetrahydroxy-9-10-seco-5,7,10(19)-cholestatrien-24-one
(5Z,7E)-(1S,3R,23S)-1,3,23,25-tetrahydroxy-9-10-seco-5,7,10(19)-cholestatrien-24-one
(5Z,7E)-(1S,3R)-26,27-dimethyl-23-oxa-9,10-seco-5,7,10(19),20-cholestatetraene-1,3,25-triol
(5Z,7E)-(1S,3R,24R)-26,27-dimethyl-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
(5Z,7E)-(1S,3R,24S)-26,27-dimethyl-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
1α,25-dihydroxy-11α-methoxyvitamin D3 / 1α,25-dihydroxy-11α-methoxycholecalciferol
(5Z,7E)-(1S,3R,11S)-11-(hydroxymethyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1α,25-dihydroxy-11β-methoxyvitamin D3 / 1α,25-dihydroxy-11β-methoxycholecalciferol
(5Z,7E)-(1S,3R,20S)-20-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1α,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1α,25-dihydroxy-24a,24b-dihomo-22-oxacholecalciferol
(5Z,7E)-(1S,3R,20R)-24a,24b-dihomo-22-oxa-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol
1α,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1α,25-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
1α,25-dihydroxy-24a,24b-dihomo-23-oxavitamin D3 / 1α,25-dihydroxy-24a,24b-dihomo-23-oxacholecalciferol
(5Z,7E)-(1S,3R,20R)-24a,24b-dihomo-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
(5Z,7E)-(1S,3R,20S)-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol
(5Z,7E)-(1S,3R,23R)-23-methyl-9,10-seco-5,7,10(19)-cholestatrien-1,3,23,25-tetrol
(5Z,7E)-(1S,3R)-18-(4-hydroxy-4-methylpentyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
2β-methoxy-1α,25-dihydroxyvitamin D3
7alpha,12alpha-dihydroxy-3-oxocholest-4-en-26-oic acid
12-Ketoporrigenin
(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol
(3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol
Neoporrigenin B
3,5,9-Trihydroxyergost-7-en-6-one
Leontogenin
Taccagenin
Spirotaccagenin
3-Hydroxysintaxanthin
Secasterone
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
bhas#32
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#32 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#32
An omega-hydroxy fatty acid ascaroside that is oscr#32 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
(24R)-24-fluoro-1alpha,25-dihydroxyvitamin D2
(24S)-24-fluoro-1alpha,25-dihydroxyvitamin D2
(23S,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactol / (23S,25R)-1alpha,25-dihydroxycholecalciferol 26,23-lactol
(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3
(23S)-1alpha,23,25-trihydroxy-24-oxovitamin D3
1alpha,25-dihydroxy-11alpha-methoxyvitamin D3 / 1alpha,25-dihydroxy-11alpha-methoxycholecalciferol
1alpha,25-dihydroxy-11alpha-(hydroxymethyl)vitamin D3
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol
(20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3
1alpha,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3
1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epivitamin D3
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
1alpha,25-dihydroxy-24a,24b-dihomo-23-oxavitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-23-oxacholecalciferol
(20S)-1alpha,20,25-trihydroxy-24a-homovitamin D3
(23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3 / (23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol
2beta-methoxy-1alpha,25-dihydroxyvitamin D3
N-Carbobenzoxy-D-leucine DicyclohexylaMMoniuM Salt
3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID METHYL ESTER 3-ACETATE
D-Valine, 3-Methyl-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
(22E,24R)-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha-tetrol
A 3beta-sterol that is ergosta-7,22-dien-3-ol substituted by additional hydroxy groups at positions 5, 6 and 9 (3beta,5alpha,6beta,22E stereoisomer). It has been isolated from the endophytic fungus, Chaetomium globosum.
(3R,17R)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyoctadecanoic acid
23-acetoxy-12-O-deacetyl-12-epi-deoxoscalarin
A scalarane sesterterpenoid that is 23-acetoxy-12-epi-deoxoscalarin in which the acetoxy group at position 12 is replaced by a hydroxy group. It has been isolated from the sponge, Hyattella species.
1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epivitamin D3/1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epicholecalciferol
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
(3R)-18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxystearic acid
1alpha,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin D3/1alpha,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxacholecalciferol
(24R)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxavitamin D3/(24R)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
(24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxavitamin D3/(24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
1alpha,25-dihydroxy-11alpha-methoxyvitamin D3/1alpha,25-dihydroxy-11alpha-methoxycholecalciferol
1alpha,25-dihydroxy-11alpha-(hydroxymethyl)vitamin D3/1alpha,25-dihydroxy-11alpha-(hydroxymethyl)cholecalciferol
1alpha,25-dihydroxy-11beta-methoxyvitamin D3/1alpha,25-dihydroxy-11beta-methoxycholecalciferol
(20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3/(20S)-1alpha,25-dihydroxy-20-methoxycholecalciferol
1alpha,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3/1alpha,25-dihydroxy-24a,24b-dihomo-22-oxacholecalciferol
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3/1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
1alpha,25-dihydroxy-24a,24b-dihomo-23-oxavitamin D3/1alpha,25-dihydroxy-24a,24b-dihomo-23-oxacholecalciferol
1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epivitamin D3/1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epicholecalciferol
(20S)-1alpha,20,25-trihydroxy-24a-homovitamin D3/(20S)-1alpha,20,25-trihydroxy-24a-homocholecalciferol
(23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3/(23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol
1alpha-hydroxy-18-(4-hydroxy-4-methylpentyloxy)-23,24,25,26,27-pentanorvitamin D3/1alpha-hydroxy-18-(4-hydroxy-4-methylpentyloxy)-23,24,25,26,27-pentanorcholecalciferol
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
[3-Carboxy-2-(15-carboxy-7-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(15-carboxy-8-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(15-carboxy-4-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(15-carboxy-6-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(15-carboxy-3-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(15-carboxy-5-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,10E,12E,14E)-icosa-5,8,10,12,14-pentaenoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl]-trimethylazanium
(1S)-1,23,25-trihydroxy-24-oxocalciol
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(6R)-6-[(7R,10R,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
[1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoxy]-3-hydroxypropan-2-yl] propanoate
[1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] pentanoate
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] heptanoate
(1-acetyloxy-3-hydroxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
2-[(14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoyl]oxyacetic acid
(1-butanoyloxy-3-hydroxypropan-2-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-Carboxy-3-(2-heptanoyloxy-3-hexanoyloxypropoxy)propyl]-trimethylazanium
[1-Carboxy-3-(2-decanoyloxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
[1-Carboxy-3-(2-octanoyloxy-3-pentanoyloxypropoxy)propyl]-trimethylazanium
[3-(3-Acetyloxy-2-undecanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
[3-(3-Butanoyloxy-2-nonanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
2-[carboxy-[2-hydroxy-3-[(Z)-tridec-9-enoyl]oxypropoxy]methoxy]ethyl-trimethylazanium
N-docosanoyltaurine(1-)
A fatty acid-taurine conjugate(1-) obtained by deprotonation of the sulfo group of N-docosanoyltaurine; major species at pH 7.3.
22R,23S-epoxy-5alpha-campest-9(11)-en-3beta,6alpha,20S-triol
(4r,5s,10s)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6-diene-4,5,10-triol
(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-3-oxoicosanoic acid
5a,7,9-trihydroxy-9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
2-[(1s,3as,3bs,5s,5as,7s,9as,11as)-5,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-5,6-dimethylheptan-4-one
(4s,4as,6s,8as)-4,6-dihydroxy-2-[(1r,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(2r)-6-methyl-5-methylideneheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
1-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3,5,7-triol
4-methoxy-8-[2-methoxy-4-methyl-5-(6-methyldeca-2,4-dien-2-yl)oxolan-3-yl]-3,7-dimethylocta-5,7-dien-2-one
(1'r,2s,2's,4s,4's,7'r,8'r,9's,12's,13's,16'r,18's)-4,5,5,7',9',13'-hexamethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-7',16'-diol
(2s,5s)-2-[(1r,3ar,3bs,5as,7s,9ar,9br,11ar)-3b,5a,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptan-3-one
(1as,3r,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(2r)-6-methyl-5-methylideneheptan-2-yl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one
(1r,3as,7s,8r,9ar,9br,11ar)-3a,7,8-trihydroxy-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(4r)-4-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
7,9,10-trihydroxy-9a-methyl-1-(6-methyl-5-methylideneheptan-2-yl)-tetradecahydro-1h-cyclopenta[a]phenanthrene-11a-carbaldehyde
[(1r,4s,4as,7s,8r,10as)-8-(acetyloxy)-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 2-methylbutanoate
(1s,3ar,7r,8s,9as,9bs,11as)-3a,7,8-trihydroxy-1-[(2s)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,2r,4s,6r,9r,10s,11s,13r,14s,15r,18s,20s)-13,18-dihydroxy-6-isopropyl-9,11,15-trimethyl-5-oxapentacyclo[12.8.0.0²,¹¹.0⁴,¹⁰.0¹⁵,²⁰]docosane-7,21-dione
[(1r,4s,4as,7s,8r,10as)-8-(acetyloxy)-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl (2r)-2-methylbutanoate
(1r,3as,3bs,5as,7s,9s,9as,9bs,11ar)-5a,7,9-trihydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
4,5,5,7',9',13'-hexamethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-7',16'-diol
(1's,2r,2's,4's,7's,8'r,9's,12's,13'r,16's)-5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-5,16'-diol
15',16'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one
(4s,5s,10s)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6-diene-4,5,10-triol
(1r,5as,5br,7ar,8r,11ar,11br,13s,13as,13bs)-1-hydroxy-8-(hydroxymethyl)-5b,8,11a,13a-tetramethyl-1h,3h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-13-yl acetate
(3s,4s,5s)-3-[15-(2h-1,3-benzodioxol-5-yl)pentadecyl]-4-hydroxy-5-methyloxolan-2-one
5,5-bis(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol
(1'r,2r,2's,4's,5r,7's,8's,9's,12's,13'r,16's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-4',8',16'-triol
1-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol
(1r,3as,3bs,7r,9s,9ar,9bs,10r,11as)-11a-(hydroxymethyl)-9a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-7,9,10-triol
(4r,5s,6e,10s)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6-diene-4,5,10-triol
22e,24r-ergosta-7,22-diene-3β,5α,6β,9α-tetraol
{"Ingredient_id": "HBIN003719","Ingredient_name": "22e,24r-ergosta-7,22-diene-3\u03b2,5\u03b1,6\u03b2,9\u03b1-tetraol","Alias": "NA","Ingredient_formula": "C28H46O4","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3(C2=CC(C4(C3(CCC(C4)O)C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7244","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22e,24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,tetraol
{"Ingredient_id": "HBIN003720","Ingredient_name": "22e,24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,tetraol","Alias": "NA","Ingredient_formula": "C28H46O4","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3(C2=CC(C4(C3(CCC(C4)O)C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}