Exact Mass: 364.22094020000003
Exact Mass Matches: 364.22094020000003
Found 338 metabolites which its exact mass value is equals to given mass value 364.22094020000003
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Tetrahydrocortisone
Cortisol is a corticosteroid hormone that is involved in the response to stress; it increases blood pressure and blood sugar levels and suppresses the immune system. Synthetic cortisol, also known as hydrocortisone, is used as a drug mainly to fight allergies and inflammation. -- Wikipedia; As an oral or injectable drug, cortisol is also known as hydrocortisone. It is used as an immunosuppressive drug, given by injection in the treatment of severe allergic reactions such as anaphylaxis and angioedema, in place of prednisolone in patients who need steroid treatment but cannot take oral medication, and peri-operatively in patients on long-term steroid treatment to prevent an Addisonian crisis. -- Wikipedia [HMDB] Cortisol is a corticosteroid hormone that is involved in the response to stress; it increases blood pressure and blood sugar levels and suppresses the immune system. Synthetic cortisol, also known as hydrocortisone, is used as a drug mainly to fight allergies and inflammation. -- Wikipedia; As an oral or injectable drug, cortisol is also known as hydrocortisone. It is used as an immunosuppressive drug, given by injection in the treatment of severe allergic reactions such as anaphylaxis and angioedema, in place of prednisolone in patients who need steroid treatment but cannot take oral medication, and peri-operatively in patients on long-term steroid treatment to prevent an Addisonian crisis. -- Wikipedia. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Tetrahydrocortisone is a stress-induced hormone. Tetrahydrocortisone is also a urinary metabolite of Cortisone derived from the reduction of Cortisone by 5-reductase[1].
Dihydrocortisol
Dihydrocortisol is the product of the enzyme steroid 5-beta-reductase (EC 1.3.1.3), which catalyzes the reduction of progesterone, androstenedione, 17-alpha-hydroxyprogesterone, testosterone, aldosterone, corticosterone, and cortisol to 5-beta-reduced metabolites. A deficiency in this enzyme is associated with a congenital defect in bile acid synthesis (OMIM: 235555). Dihydrocortisol is the substrate of the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.225, 1.1.1.213, 1.3.1.20, 1.1.1.50), and is an intermediate in bile acid biosynthesis, C21-steroid hormone metabolism, androgen and estrogen metabolism, and the metabolism of xenobiotics by cytochrome P450 (KEGG). Dihydrocortisol is the product of the enzyme Steroid 5-beta-reductase [EC 1.3.1.3], which catalyzes the reduction of progesterone, androstenedione, 17-alpha-hydroxyprogesterone, testosterone, aldosterone, corticosterone and cortisol to 5-beta-reduced metabolites. A deficiency in this enzyme is associated with congenital defect in bile acid synthesis. (OMIM 235555) 5β-Dihydrocortisol, a metabolite of Cortisol, is a potential mineralocorticoid. 5β-Dihydrocortisol can potentiate glucocorticoid activity in raising the intraocular pressure. 5β-Dihydrocortisol causes breast cancer cell apoptosis[1][2][3][4][5].
3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is an intermediate in C21-Steroid hormone metabolism. 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is converted from 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). [HMDB] 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is an intermediate in C21-Steroid hormone metabolism. 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is converted from 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50).
11b,17a,21-Trihydroxypreg-nenolone
11beta,17alpha,21-Trihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 11beta,17alpha,21-Trihydroxypregnenolone is the 4th to last step in the synthesis of Cortol and is converted from 17alpha,21-Dihydroxypregnenolone via the enzyme cytochrome P450 (EC:1.14.15.4). It is then converted to Cortisol via the enzyme 3beta-hydroxy-delta5-steroid dehydrogenase (EC 1.1.1.145) and the enzyme steroid delta-isomerase (EC 5.3.3.1). [HMDB] 11beta,17alpha,21-Trihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 11beta,17alpha,21-Trihydroxypregnenolone is the 4th to last step in the synthesis of Cortol and is converted from 17alpha,21-Dihydroxypregnenolone via the enzyme cytochrome P450 (EC:1.14.15.4). It is then converted to Cortisol via the enzyme 3beta-hydroxy-delta5-steroid dehydrogenase (EC 1.1.1.145) and the enzyme steroid delta-isomerase (EC 5.3.3.1).
11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al
DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/0:0) is a diglyceride, or a diacylglycerol (DAG). It is a glyceride consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Diacylglycerols can have many different combinations of fatty acids attached at both the C-1 and C-2 positions. DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/0:0), in particular, consists of one chain of docosapentaenoic acid at the C-1 position and one chain of palmitoleic acid at the C-2 position. The docosapentaenoic acid moiety is derived from animal fats and brain, while the palmitoleic acid moiety is derived from animal fats and vegetable oils. Mono- and diacylglycerols are common food additives used to blend together certain ingredients, such as oil and water, which would not otherwise blend well. Dacylglycerols are often found in bakery products, beverages, ice cream, chewing gum, shortening, whipped toppings, margarine, and confections. 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al is converted from Aldosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC:1.3.99.6). It is then converted to 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC:1.1.1.50).
18-Hydroxy-11-dehydrotetrahydrocorticosterone
18-Hydroxy-11-dehydrotetrahydrocorticosterone is a major urinary metabolite of 18-hydroxycorticosterone and is used to monitor 18-hydroxycorticosterone secretion rate. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
Vanillin 3-(L-menthoxy)propane-1,2-diol acetal
Vanillin 3-(L-menthoxy)propane-1,2-diol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Reichstein's substance E
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4,5-Dihydrocortisol
Allotetrahydrocortisone
Fallypride
C20H29FN2O3 (364.21620959999996)
Tenacigenin B
Tetrahydroaldosterone
Methyl 15-hydroxy-8alpha,12alpha-epidioxiabiet-13-en-19-oate
Tenacigenin B
(-)-(3alpha,17alpha,20(S))-3,17,20-trihydroxypregnane-6,16-dione|(-)-<3alpha,17alpha,20(S)>-3,17,20-trihydroxypregnane-6,16-dione
(3S,5S,8R,9R,10S)-3-acetoxy-9,13-epoxy-16-norlabda-13E-en-15-oic acid|negundoin B
2,3-Dihydro-3-hydroxy-5-oxo-5-deoxyprotomycinolide IV
methyl 7alpha-hydroxy-8beta,14beta-dioxopodocarpan-13beta-oate
Me ester -(ent-6alpha,7beta,13E)-6,7-Dihydroxy-2-oxo-3,13-clerodadien-15-oic acid
1-hydroxy-5-hydroxymethyl-6-methoxymethyl-3-methoxy-2-(7-methoxy-3,7-dimethylocta-2,6-dienyl)benzene|hericenol D
2alpha,3beta,4beta,18-tetrahydroxypregn-5-en-16-one
3beta,14beta,15alpha,16alpha-hydroxy-20-oxo-Delta5-pregnene-tetraol
(16R)-6-hydroxy-16beta-(methoxymethyl)-15-oxo-6,7-seco-ent-kauran-7,20-olide|(1R,2R,4aS,7R,8S,9aS)-5,6,7,8-tetrahydro-2-(hydroxymethyl)-8-(methoxymethyl)-3,3-dimethylspiro[cyclohexane-1,4-[2]oxa[7,9a]methanocyclohepta[c]pyran]-1,9(4aH)-dione|sculponeatin O
(1R,3R,4R,13R,14R,15S,7E,11E)-13-hydroxy-17-methoxy-3,4-epoxycembra-7,11-dien-16,14-olide|durumolide Q
(1R*,3R*,4S*,14S*,15S*,7E,11E)-18-hydroxy-17-methoxy-3,4-epoxycembra-7,11-dien-16,14-olide|durumolide P
4,13beta-dihydroxy-14-oxo-3,4-secoatis-16-en-3-oic acid methyl ester
3beta,14beta,20-trihydroxy-5beta-pregn-18-carboxylic acid-20-lactone
16-oxo-2,3-secoandrostan-2,3-dioic acid dimethyl ester
3alpha,15alpha,21-Trihydroxy-5alpha-pregnandion-(11,20)
2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)-5-(1-ethoxy-3-methylbutyl)acetophenone
7alpha,14beta-dihydroxy-16beta-methoxymethyl-ent-kaur-3,15-dione|glaucocalyxin I
(20S*)-1alpha,14beta,15beta-trihydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-ene|rubluanin B
(3aS,7S,9aS)-3a,5,6,7,9,9a-hexahydro-7,9a-dihydroxy-1-(7-hydroxy-6-methylheptan-2-yl)-3a-methylcyclopenta[b]chromen-8(3H)-one|TCA E
6beta-Acetoxy-8beta-hydroxy-ent-13E-labden-15-saeure; Acetyl-laurofolic acid
(3R)-8-hydroxy-6-methoxy-3-(11-hydroxyundecyl)-3,4-dihydroisocoumarin
agallochin N|methyl ent-13-epi-8,13-epoxy-2,3-secolabd-14-en-2,11-olid-3-oate
(15S)-7,8,16-trihydroxyserrulatan-19-oate|methyl (15S)-7,8,16-trihydroxyserrulatan-19-oate
6alpha-(3-methylvaleryloxy)-1-hydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
6alpha,7alpha-dihydroxy-15-methoxycleroda-3,13-dien-16,15-olide|ptycho-6alpha,7alpha-diol
3,4-Dihydro-8-hydroxy-6-methoxy-3-(6-hydroxyundecyl)-1H-2-benzopyran-1-one
16alpha,17-dihydroxy-15-oxo-ent-kaur-19-oic acid methyl ester|16??,17-Dihydroxy-15-oxo-ent-kaur-19-oic acid methyl ester
methyl-14-O-(2-methylbutyryl)-oxyphylloate|methyl-14-O-<2-methylbutyryl>-oxyphylloate
THE
CONFIDENCE standard compound; INTERNAL_ID 1214
Tetrahydrocortisone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Tetrahydrocortisone is a stress-induced hormone. Tetrahydrocortisone is also a urinary metabolite of Cortisone derived from the reduction of Cortisone by 5-reductase[1].
Vanillin 3-(L-menthoxy)propane-1,2-diol acetal
Urocortisone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Tetrahydrocortisone is a stress-induced hormone. Tetrahydrocortisone is also a urinary metabolite of Cortisone derived from the reduction of Cortisone by 5-reductase[1].
ST 21:2;O5
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Hydrallostane
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Tetrahydroaldosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(RAC-TRANS)-1-TERT-BUTYL 3-METHYL 4-(5,6-DIMETHOXYPYRIDIN-2-YL)PYRROLIDINE-1,3-DICARBOXYLATE
4,4-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethylaniline]
(S)-3-aminomethyl-N,N-diethyl-5-methylhexanamide D-(-)-tartrate
C4H6O6*C12H26N2O (364.22094020000003)
Fallypride
C20H29FN2O3 (364.21620959999996)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
5-(3-Fluoropropyl)-2,3-dimethoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]benzamide
C20H29FN2O3 (364.21620959999996)
4-((4-((((1R,2S)-2-Phenylcyclopropyl)amino)methyl)piperidin-1-yl)methyl)benzoic acid
3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is an intermediate in C21-Steroid hormone metabolism. 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is converted from 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). [HMDB] 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is an intermediate in C21-Steroid hormone metabolism. 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al is converted from 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50).
11b,17a,21-Trihydroxypreg-nenolone
11beta,17alpha,21-Trihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 11beta,17alpha,21-Trihydroxypregnenolone is the 4th to last step in the synthesis of Cortol and is converted from 17alpha,21-Dihydroxypregnenolone via the enzyme cytochrome P450 (EC:1.14.15.4). It is then converted to Cortisol via the enzyme 3beta-hydroxy-delta5-steroid dehydrogenase (EC 1.1.1.145) and the enzyme steroid delta-isomerase (EC 5.3.3.1). [HMDB] 11beta,17alpha,21-Trihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 11beta,17alpha,21-Trihydroxypregnenolone is the 4th to last step in the synthesis of Cortol and is converted from 17alpha,21-Dihydroxypregnenolone via the enzyme cytochrome P450 (EC:1.14.15.4). It is then converted to Cortisol via the enzyme 3beta-hydroxy-delta5-steroid dehydrogenase (EC 1.1.1.145) and the enzyme steroid delta-isomerase (EC 5.3.3.1).
(1E,3R,4R,10R,11S)-4,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one
(3R,5R,8S,9S,10S,14S)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
3,5-Dihydroxy-2,6,6,10,14-pentamethyl-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadec-12(17)-en-16-one
1-[(8S,9S,10R)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]ethanone
1-[(8R,9S,10R)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]ethanone
(1Z,3R)-N-[(5S)-6-(acetyloxy)-5-{(E)-[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexyl]-3-isocyanobutanimidic acid
(2Z,6Z,10Z)-6-(acetyloxymethyl)-12-hydroxy-10-methyl-2-(3-methylbut-3-enyl)dodeca-2,6,10-trienoic acid
N-[(2S)-butan-2-yl]-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
(1-acetyloxy-3-hydroxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
2-(Ethoxycarbonyl)-3-[1-(benzyloxy)ethyl]heptanoic acid ethyl ester
Dihydrocortisol
5β-Dihydrocortisol, a metabolite of Cortisol, is a potential mineralocorticoid. 5β-Dihydrocortisol can potentiate glucocorticoid activity in raising the intraocular pressure. 5β-Dihydrocortisol causes breast cancer cell apoptosis[1][2][3][4][5].
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
2-hydroxy-1-[(17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
20beta-dihydrocortisol
A 17alpha-hydroxy-C21-steroid that is cortisol in which the 20-oxo group has been reduced to a hydroxy group. It is a metabolite of cortisol identified in the urine of horses and humans, and its urinary excretion is increased in obesity.
18-Hydroxy-11-dehydrotetrahydrocorticosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
DG(18:4)
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VU0469650
VU0469650 is a potent, selective and CNS-penetrated negative allosteric modulator of mGlu1 receptor, with an IC50 of 99 nM[1].
3-{2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-1-methoxyethyl}-5h-furan-2-one
[(1r,7ar)-1-[(1s)-1-[(2r,3s,4s)-3-hydroxy-4,5,5-trimethyloxolan-2-yl]ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1h-inden-4-yl]acetic acid
6,8-dihydroxy-2,5b,9,9,11a-pentamethyl-2,3,5,5a,6,7,8,9a,10,11-decahydro-1,12-dioxatetraphen-4-one
(1s,3s,5r,8e,12e,15r,18r)-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one
8-hydroxy-3-(11-hydroxyundecyl)-6-methoxy-3,4-dihydro-2-benzopyran-1-one
methyl 2-[(1r,3s,6s,10e,14s)-6-hydroxy-6,10,14-trimethyl-7-oxo-15-oxabicyclo[12.1.0]pentadec-10-en-3-yl]prop-2-enoate
5-methoxy-1'',6'',8''-trimethyldispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecan]-2''-one
3-hydroxy-2-[(3-methylbut-2-enoyl)oxy]propyl trideca-2,4,11-trienoate
(3r,5s,7r,7ar,11ar)-5-butyl-3-(isothiocyanatomethyl)-decahydro-1h-pyrrolo[2,1-j]quinolin-7-yl acetate
(1r,3s,4r,5s,8r,11r,14r)-3,8-dihydroxy-14-isopropyl-8-(methoxymethyl)-4,11-dimethyl-15-oxatetracyclo[9.4.0.0¹,¹⁴.0⁵,⁹]pentadec-9-en-12-one
(6e)-11-hydroxy-6-[(2e)-4-hydroxy-4-methylpent-2-en-1-ylidene]-1-methoxy-10-methyl-4-oxatricyclo[8.3.1.0²,⁷]tetradecan-3-one
(6r)-2-{[(2r,3s,5r)-5-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-3-hydroxy-3-methyloxolan-2-yl]methyl}-3,6-dihydroxycyclohex-2-en-1-one
methyl 4-{6-hydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl}-2-(oxiran-2-yl)but-2-enoate
methyl (1s,4ar,4bs,8ar,10as)-10a-hydroxy-7-(2-hydroxyethyl)-1,4a,8-trimethyl-6-oxo-2,3,4,4b,5,8a,9,10-octahydrophenanthrene-1-carboxylate
2-[3-(furan-3-yl)propyl]-6-(methoxycarbonyl)-10-methylundec-9-enoic acid
(1s,4as,5's,8as)-2-(methoxycarbonyl)-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
2-methoxy-6,14,14-trimethyl-10-methylidene-3,16-dioxatetracyclo[11.3.2.0¹,¹⁵.0⁴,¹⁵]octadec-6-ene-4,8-diol
6-(5,6-dihydroxy-6-methylheptan-2-yl)-13-hydroxy-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
(3as,5ar,6r,8as)-8a-hydroxy-6-[(2r,5r)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-3ah,4h,5h,6h,7h,8h-indeno[5,4-b]furan-2-one
(4s)-3,4-dihydroxy-2-{[(1r,5r)-5-hydroxy-2-[(2s,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methylcyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one
3-[(3s,3as,6s,7r,8r,9br)-3-acetyl-8-hydroxy-7-(hydroxymethyl)-3a,6-dimethyl-1h,2h,3h,4h,5h,7h,8h,9h,9bh-cyclopenta[a]naphthalen-6-yl]propanoic acid
(2e,4e,6s)-6-[(2s,3s,4r,5s,6s,8r,9s)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid
3-{2-[(1r,5r,6r,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-1-methoxyethyl}-5h-furan-2-one
(1r,2r,4s,6e,8r,13s,15s)-2-methoxy-6,14,14-trimethyl-10-methylidene-3,16-dioxatetracyclo[11.3.2.0¹,¹⁵.0⁴,¹⁵]octadec-6-ene-4,8-diol
4-(acetyloxy)-2,5,5,8a-tetramethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-5'-ylideneacetic acid
methyl 12-isopropyl-5,9-dimethyl-3,10,13-trioxocyclotetradec-1-ene-1-carboxylate
1-[2',4'-dihydroxy-3'-(3''-methylbut-2''-enyl)-5'-(1'''-ethoxy-3'''-methylbutyl)-6'-methoxy]-phenylethanone
{"Ingredient_id": "HBIN000646","Ingredient_name": "1-[2',4'-dihydroxy-3'-(3''-methylbut-2''-enyl)-5'-(1'''-ethoxy-3'''-methylbutyl)-6'-methoxy]-phenylethanone","Alias": "NA","Ingredient_formula": "C21H32O5","Ingredient_Smile": "CCOC(CC(C)C)C1=C(C(=C(C(=C1O)CC=C(C)C)O)C(=O)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6021","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14-deoxy-12-methoxyandrographolide
{"Ingredient_id": "HBIN001410","Ingredient_name": "14-deoxy-12-methoxyandrographolide","Alias": "NA","Ingredient_formula": "C21H32O5","Ingredient_Smile": "CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)OC)(C)CO)O","Ingredient_weight": "364.5 g/mol","OB_score": "70.29104501","CAS_id": "NA","SymMap_id": "SMIT09530","TCMID_id": "NA","TCMSP_id": "MOL008213","TCM_ID_id": "NA","PubChem_id": "10473975","DrugBank_id": "NA"}
agallochin n
{"Ingredient_id": "HBIN014812","Ingredient_name": "agallochin n","Alias": "NA","Ingredient_formula": "C21H32O5","Ingredient_Smile": "CC12CCC(C3(C1C(CC(O2)(C)C=C)OC(=O)C3)C)C(C)(C)C(=O)OC","Ingredient_weight": "364.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "694","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101232174","DrugBank_id": "NA"}