Exact Mass: 446.3032
Exact Mass Matches: 446.3032
Found 500 metabolites which its exact mass value is equals to given mass value 446.3032
,
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
3,7,18-O-triacetylfoliol|3,7,18-triacetylfoliol|3alpha,7beta,18-triacetoxy-ent-kaur-16-ene|foliol triacetate|Triacetylfoliol
methyl-3beta,9beta-dihydroxy-15alpha-senecioyloxy-ent-kaurenoate
(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
methyl-3beta,9beta-dihydroxy-15alpha-angeloyloxy-ent-kaurenoate
(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
2alpha-Angeloyloxy-3beta-(2-methylpent-2-enoylxy)isodrimeninol
methyl ent-7alpha,9alpha-dihydroxy-15beta-[(2Z)-2-methyl-but-2-enoyloxy]kaur-16-en-19-oate|Methyl ent-7??,9??-dihydroxy-15??-[(2Z)-2-methyl-but-2-enoyloxy]kaur-16-en-19-oate
methyl-9beta,11beta-dihydroxy-15alpha-angeloyloxy-ent-kaurenoate
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
espinasanolide-(2-methylbutyrate) methyl ester|espinasanolide-<2-methylbutyrate> methyl ester
3alpha,9alpha-di-pent-2E-enoyloxy-8alpha-hydroxy-7beta,10alphaH-eremophil-11-ene
3alpha,9beta,13alpha-trihydroxy-11(12),15(17)-trinervitadiene-3,9,13-triacetate
(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
berkeleyone A
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
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
(1aR,4R,7S,7aR,7bR)-1a,2,4,5,6,7,7a,7b-octahydro-1a-[1-(hydroxymethyl)ethenyl]-7,7a-dimethyl-2-oxonaphth[1,2-b]oxiren-4-yl (4E)-3-hydroxy-2,4,6-trimethyloct-4-enoate|1-(xylarenone A)xylariate A
(2alpha,3bata,5alpha,25R)-Spirost-7-ene-2,3,5-triol
3alpha,16beta,20,22-tetrahydroxyergosta-5,24(28)-diene
1(15),8(19)-trinervitadiene-2beta,3alpha,14alpha triacetate|Tri-Ac-(2beta,3alpha,14alpha)-1(15),8(19)-Trinervitadiene-2,3,14-triol
24-methylene cholest-5-en-3beta,7beta,9alpha,19-tetrol
2beta,3alpha,9alpha-triacetoxy-1(15),8(19)-trinervitadiene
(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
(2E,4E,6E)-cyclo-[(NMe-L-Ala)-(NMe-L-Val)-(Nalpha-octa-2,4,6-trienoyl-L-Lys)]|sclerotiotide C
7alpha-acetyl-isopimara-8(14),15-dien-18-yl and metyl malonate
(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
1(15),8(19)-trinervitadiene-2beta,3alpha,13alpha triacetate
C26H38O6_Androsta-11,15-diene-14-carboxylic acid, 3,15,19-trihydroxy-4,4,8,12,16-pentamethyl-17-oxo-, methyl ester
Lovastatin putative derivative C26H38O6 observed in fungal symbiont H
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
Ala Lys Lys Thr
Ala Lys Thr Lys
Ala Thr Lys Lys
Ile Ile Thr Thr
Ile Leu Thr Thr
Ile Thr Ile Thr
Ile Thr Leu Thr
Ile Thr Thr Ile
Ile Thr Thr Leu
Lys Ala Lys Thr
Lys Ala Thr Lys
Lys Lys Ala Thr
Lys Lys Thr Ala
Lys Thr Ala Lys
Lys Thr Lys Ala
Leu Ile Thr Thr
Leu Leu Thr Thr
Leu Thr Ile Thr
Leu Thr Leu Thr
Leu Thr Thr Ile
Leu Thr Thr Leu
Thr Ala Lys Lys
Thr Ile Ile Thr
Thr Ile Leu Thr
Thr Ile Thr Ile
Thr Ile Thr Leu
Thr Lys Ala Lys
Thr Lys Lys Ala
Thr Leu Ile Thr
Thr Leu Leu Thr
Thr Leu Thr Ile
Thr Leu Thr Leu
Thr Thr Ile Ile
Thr Thr Ile Leu
Thr Thr Leu Ile
Thr Thr Leu Leu
(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
7alpha,12alpha-dihydroxy-3-oxocholest-4-en-26-oic acid
12-Ketoporrigenin
Neoporrigenin B
Leontogenin
Taccagenin
Spirotaccagenin
3-Hydroxysintaxanthin
(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
N-Carbobenzoxy-D-leucine DicyclohexylaMMoniuM Salt
9,9-DiMethylfluorene-2,7-diboronic acid bis(pinacol) ester
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)
Hydrocortisone Valerate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(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.
(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
N-[(2R,3S)-1-((2S)-2-{[(Cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide
(3R)-18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxystearic acid
(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
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24,24-dihydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
[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
[(17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide
N-(3alpha-hydroxy-7-oxo-5beta-cholan-24-oyl)glycinate
1-(3-cyanophenyl)-3-[[(2R,4S,5R)-5-(5-cyclohexyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
1-cyclohexyl-3-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-[2-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[2-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[2-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone
1-cyclohexyl-3-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-[2-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[2-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[2-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[2-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
1-[2-[4-[(8S,9R,10S)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
(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-acetyloxy-3-hydroxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
(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.
(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
4-[(1e)-2-[(1r,2r,3s,4r,4ar,8as)-2,3-dihydroxy-4-{[(2s)-2-isopropyloxiran-2-yl]methoxy}-1,2,4a,5-tetramethyl-4,7,8,8a-tetrahydro-3h-naphthalen-1-yl]ethenyl]-5h-furan-2-one
(2e,4e,6e)-n-[(3s,6s,9s)-2-hydroxy-6-isopropyl-3,4,7-trimethyl-5,8-dioxo-1,4,7-triazacyclotridec-1-en-9-yl]octa-2,4,6-trienimidic acid
5-hydroxy-1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydro-1h-naphthalen-2-yl 5-[(2-methylbut-2-enoyl)oxy]hex-2-enoate
(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
1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-2-oxo-4h,5h,6h,7h,7bh-naphtho[1,2-b]oxiren-4-yl 3-hydroxy-2,4,6-trimethyloct-4-enoate
[(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,2r,4as,5r,8ar)-5-hydroxy-1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydro-1h-naphthalen-2-yl (2z,5r)-5-{[(2z)-2-methylbut-2-enoyl]oxy}hex-2-enoate
(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
(1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-(4-methoxy-4-methylpent-2-en-1-yl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate
(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
(1r,6s,7r,10r,11r,12s,15s)-7,10-bis(acetyloxy)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.0¹²,¹⁵]hexadec-9(16)-en-11-yl acetate
methyl (1s,4s,5s,6s,9r,10r,13r,15s)-6,10-dihydroxy-5,9-dimethyl-15-{[(2e)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(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
18-o-methylvibsanin g
{"Ingredient_id": "HBIN002147","Ingredient_name": "18-o-methylvibsanin g","Alias": "NA","Ingredient_formula": "C26H38O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14799","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}