Exact Mass: 452.3362384
Exact Mass Matches: 452.3362384
Found 500 metabolites which its exact mass value is equals to given mass value 452.3362384
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phylloquinol
Phylloquinol, also known as vitamin k1 hydroquinone or phytonadiol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, phylloquinol is considered to be a quinone lipid molecule. Phylloquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phylloquinol can be found in a number of food items such as olive, sweet basil, mung bean, and yellow bell pepper, which makes phylloquinol a potential biomarker for the consumption of these food products. Phylloquinol, also known as vitamin K1 hydroquinone or reduced vitamin K1, is a polycyclic aromatic ketone, based on 1,4-naphthoquinone, with 2-methyl and 3-phytyl substituents. Vitamin K is a family of phylloquinones that contain a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Several forms of vitamin K have been identified: vitamin K1 derived from plants, vitamin K2 (menaquinone) from bacteria and synthetic naphthoquinone provitamins, and vitamin K3 (menadione).
5b-Cholestane-3a,7a,12a,25,26-pentol
DG(18:1(11Z)/18:1(11Z)/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(18:1(11Z)/18:1(11Z)/0:0), in particular, consists of two chains of vaccenic acid at the C-1 and C-2 positions. The vaccenic acid moieties are derived from butter fat and animal fat. 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. 5b-Cholestane-3a,7a,12a,25,26-pentol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. Large amounts of bile alcohols have been found to be excreted into the bile and urine in patients with cerebrotendinous xanthomatosis (CTX), a rare inherited lipid storage disease. (PMID: 11718684).
5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol
5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol, also known as 5β-cholestan-3α,7α,12α,24(S),27-pentol, is classified as a pentahydroxy bile acids, alcohol or a Pentahydroxy bile acids, alcohol derivative. Pentahydroxy bile acids, alcohols are bile acids, alcohols or derivatives bearing five hydroxyl groups. 5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol is considered to be practically insoluble (in water) and relatively neutral
Tyromycic acid
Tyromycic acid is found in mushrooms. Tyromycic acid is a constituent of Ganoderma lucidum (reishi) Constituent of Ganoderma lucidum (reishi). Tyromycic acid is found in mushrooms.
5b-Cholestane-3a,7a,12a,24,25-pentol
5b-Cholestane-3a,7a,12a,24,25-pentol has been found excreted in the urine from a patient with sitosterolemia as glycine- and taurine-conjugated bile acids (PMID 7896564) [HMDB] 5b-Cholestane-3a,7a,12a,24,25-pentol has been found excreted in the urine from a patient with sitosterolemia as glycine- and taurine-conjugated bile acids (PMID 7896564).
3-Oxo-12,18-ursadien-28-oic acid
3-Oxo-12,18-ursadien-28-oic acid is found in pomes. 3-Oxo-12,18-ursadien-28-oic acid is a constituent Pyrus communis (pear). Constituent Pyrus communis (pear). 3-Oxo-18-dehydroursolic acid is found in pomes.
5b-Cholestane-3a,7a,12a,23S,25-pentol
5b-Cholestane-3a,7a,12a,23S,25-pentol is a bile alcohol found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 3700361) [HMDB] 5b-Cholestane-3a,7a,12a,23S,25-pentol is a bile alcohol found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 3700361).
5b-Cholestane-3a,7a,12a,23R,25-pentol
5b-Cholestane-3a,7a,12a,23R,25-pentol is a bile alcohol present in the urine of patients with cerebrotendinous xanthomatosis, but not in feces. A possible explanation for the urinary cholestanepentols is that the major serum bile alcohol, 5b-cholestane-3a,7a,12a,25-tetrol, might be hydroxylated at C-23 to form (23)-5b-cholestane-3a,7a,12a,23,25-pentols in the kidneys, an hypothesis supported by the fact that in our patient (23R)-5b-cholestane-3a,7a,12a,23,25-pentol was detected only in urine but were virtually absent in bile. (PMID 3700361). Widespread in plant oils and as glycerides in seed oilsand is also present in apple, apricot, banana, morello cherry, citrus fruits, cheese, butter, white wine, Japanese whiskey, peated malt, wort and scallops. It is used as a defoamer, lubricant and citrus fruit coating. Salts (Na, K, Mg, Ca, Al) used as binders, emulsifiers and anticaking agents in food manuf. Decanoic acid is found in many foods, some of which are radish (variety), meatball, phyllo dough, and american shad.
5a-Cholestane-3a,7a,12a,23,25-pentol
5a-Cholestane-3a,7a,12a,23,25-pentol is a bile acid found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 1805458) [HMDB] 5a-Cholestane-3a,7a,12a,23,25-pentol is a bile acid found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 1805458).
Cholestane-3,7,12,24,25-pentol
Cholestane-3,7,12,24,25-pentol is the major bile alcohol identified in urine from healthy humans, both in children and adults. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. Patients with the rare inherited sterol storage disease, cerebrotendinous xanthomatosis, accumulation bile alcohols in bile and feces.(PMID: 6726087, 6548247, 11718684) [HMDB] Cholestane-3,7,12,24,25-pentol is the major bile alcohol identified in urine from healthy humans, both in children and adults. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. Patients with the rare inherited sterol storage disease, cerebrotendinous xanthomatosis, accumulation bile alcohols in bile and feces.(PMID: 6726087, 6548247, 11718684).
2',3'-Dihydro-phytomenadione
Present in hydrogenated vegetable oils and a wide range of foods prepared from them. Readily absorbed by humans from dietary sources. About 15-fold less potent than natural vitamin K1 in chick blood coagulation assay. 2,3-Dihydro-phytomenadione is found in many foods, some of which are soursop, enokitake, date, and agave. 2,3-Dihydro-phytomenadione is found in agave. 2,3-Dihydro-phytomenadione is present in hydrogenated vegetable oils and a wide range of foods prepared from them. Readily absorbed by humans from dietary sources. About 15-fold less potent than natural vitamin K1 in chick blood coagulation assa
5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol
5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol, also known as 5β-cholestane-3α,7α,12α,23,25-pentol, is classified as a pentahydroxy bile acids, alcohol or a Pentahydroxy bile acids, alcohol derivative. Pentahydroxy bile acids, alcohols are bile acids, alcohols or derivatives bearing five hydroxyl groups. 5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol is considered to be practically insoluble (in water) and relatively neutral. 5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol is a bile acid lipid molecule
24,24-Difluoro-1alpha,25-dihydroxyvitamin D3
C27H42F2O3 (452.31018459999996)
5alpha-Cyprinol
Parenabol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Kulactone
16,21-Epoxylanosta-7,24-diene-3,21-dione is a natural product found in Melia with data available.
Lucialdehyde B
A tetracyclic triterpenoid that is lanosta-8,24-dien-26-al substituted by oxo groups at positions 3 and 7. Isolated from Ganoderma lucidum and Ganoderma pfeifferi, it exhibits antiviral and cytotoxic activities.
Tyromycic acid
(20R,24S)-5alpha-cholesta-3beta,6alpha,8,15alpha,24-pentaol|(24S)-5alpha-cholestane-3beta,6alpha,8,15alpha,24-pentol
Wilforlide B
Wilforlide B is a natural product found in Tripterygium regelii and Tripterygium wilfordii with data available.
2alpha,3beta-dihydroxy-28-norurs-12,17,19(20),21(22)-tetraen-23-oic acid|2alpha,3beta-dihydroxy-28-norursa-12,17,19(20),21-tetraen-23-oic acid
(1S,4R,5R)-3-hydroxymethyl-4,5-dimethoxycyclohex-2-enyl (3E)-octadec-3-enoate
3-Oxo-ursadien-(12.19)-saeure-(28)|Sanguisorbigenon|sanguisorbigenone|Tomentosonsaeure
(22E,24Z)-5alpha-stigmasta-7,22,24(24)-trien-3beta-yl acetate
5alpha-stigmasta-8,14,Z-24(28)-trien-3beta-yl acetate|Vernosterol acetate
18-dihydrocinnamoyloxy-labda-7,13E-dien-15-oic acid
19-(p-hydroxyhydrocinnamoyloxy)-ent-kauran-17-al|19--ent-kauran-17-al
(17R,20R)-cycloart-24-en-3,16,23-trione|(9beta)-9,19-cyclolanost-24-ene-3,16,23-trione|5alpha-cycloart-24-ene-3,16,23-trione|gummiferartane-6
1,8,15,22-Tetraaza-2,7,16,21-cyclooctacosanetetrone
Stigmasta-5,22,25-trien-3-ol,acetate, (3b,22E,24S)- (9CI)
(3beta, 5alpha, 6beta, 15alpha, 25S)-Cholestane-3, 5, 6, 15, 25-pentol
(20xi)-3-oxolanosta-7,9(11),24-trien-21-oic acid|3-oxolanosta-7,9(11),24-trien-21-oic acid|dehydrotrametenonic acid
(2,3-dihydro-3-methylenebenzo[b]oxepin-7-yl)methyl oleate
4alpha-Methyl-5alpha-ergosta-8,14,24(241)-trien-3beta-ol acetate|4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-yl acetate
1,8,15,22-Tetraazacyclooctacosane-2,9,16,23-tetrone
15alpha-hydroxy-24-methylene-7,9(11),24-lanostatrien-3-one|15alpha-hydroxy-24-methylenelanosta-7,9(11)-dien-3-one
13-O-alpha-rhamnopyranosyl-(+)-3beta-hydroxymanool
(4S,5S,7R,10S)-Eudesm-11-en-4-ol 2-O-((2S) 2-methylbutyryl)-beta-D-fucopyranoside|(4S,5S,7R,10S)-Eudesm-11-en-4-ol 2-O-<(2S) 2-methylbutyryl>-beta-D-fucopyranoside
(1beta)-25(9-8)-Abeo-3-oxo-4(23)-friedelen-24,1-olide
(24E)-5alpha-stigmasta-7,9(11),24(24)-trien-3beta-yl acetate
2-hydroxy-24-methylenelanostan-1,8-dien-3-one|klainedoxalanostenone
8(14),15,24(28)-Stigmastatrienylacetat|8(14).15.24(28)-Stigmastatrienylacetat
O-3-isovaleroyl alpha-bisabolol beta-D-fucopyranoside
cornusalterin I
A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S)-lanosta-7,9(11),24-triene substituted by an oxo group at position 3 and a methoxy group at position 23. It has been isolated from the stem and stem barks of Cornus walteri.
(2Z,6R)-2-methyl-6-[(12beta)-4,4,10,12,14-pentamethyl-3-oxogona-8,13(17)-dien-17-yl]hept-2-enoic acid|kadindutic acid
3alpha,7alpha,12alpha,23-Tetrahydroxy-cholansaeure-ethylester
(23R)-3-oxo-5alpha,9beta-lanosta-7,24-dien-26,23-olide
8|A-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
26-hydroxy-5alpha-lanosta-7,9(11),24-triene-3,22-dione
2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2h-naphtho-[1,2-b]pyran-6-ol
lettowinone|methyl [3-(3,7-dimethylocta.2,6-dienyl)-6-methyl-5-(3-methylbut-2-enyl)-1,4-dioxo-1,5,8,8a-tetrahydro-4H-naphthalen-4a-yl]acetate
2.3-dihydroxy-24-nor-friedelatetraen-(1.3.5(10).7)-oic acid-(29)|2.3-Dihydroxy-24-nor-friedelatetraen-(1.3.5(10).7)-saeure-(29)|Dihydrocelastrol
13S-labda-8(17),14-diene-13-(cis-hydroxycinnamoxy)-19-ol
4alpha-hydroxydemethylplakinamine B
C30H48N2O (452.37664379999995)
3-oxo-D:C-friedo-olena-7,9(11)-dien-29-oic acid|3-oxo-D:C-friedooleana-7,9(11)-dien-29-oic acid
17-hydroxy-19-(p-hydroxyhydrocinnamoyloxy)-iso-kaurene|17-hydroxy-19--iso-kaurene
Benzamide, N-(20-amino-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-
Triptohypol C
Triptohypol C is a pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. It has a role as a plant metabolite and an apoptosis inducer. It is a pentacyclic triterpenoid, a monocarboxylic acid and a member of benzenediols. Dihydrocelastrol is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available. A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. Triptohypol C, a Tripterin (HY-13067) derivative, is a potent Nur77-targeting anti-inflammatory agent with an Kd value of 0.87 μM. Triptohypol C inhibits inflammatory response by promoting the interactions of Nur77 with TRAF2 and p62/SQSTM1[1].
C30H44O3_(22E,24E)-3-Oxo-9,19-cyclolanosta-22,24-dien-26-oic acid
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
4,4-difluoro-1α,25-dihydroxyvitamin D3 / 4,4-difluoro-1α,25-dihydroxycholecalciferol
C27H42F2O3 (452.31018459999996)
(5Z,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
C27H42F2O3 (452.31018459999996)
23,23-difluoro-1α,25-dihydroxyvitamin D3 / 23,23-difluoro-1α,25-dihydroxycholecalciferol
C27H42F2O3 (452.31018459999996)
24,24-difluoro-1α,25-dihydroxyvitamin D3 / 24,24-difluoro-1α,25-dihydroxycholecalciferol
C27H42F2O3 (452.31018459999996)
(5Z,7E,17E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol
(5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol
(5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),20-cholestatetraen-22-yne-1,3,25-triol
(5Z,7E,22E,24E,24bE)-(1S,3R)-24a,24b,24c-trihomo-9,10-seco-5,7,10(19),22,24,24b-cholestahexaene-1,3,25-triol
VD 2728
VD 2736
Cholestane-3,7,12,24,25-pentol
5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol
5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,22,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,26,27-pentol
5alpha-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,22,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,23,26-pentol
3-Oxo-12,18-ursadien-28-oic acid
4,4-difluoro-1alpha,25-dihydroxyvitamin D3
C27H42O3F2 (452.31018459999996)
23,23-difluoro-1alpha,25-dihydroxyvitamin D3
C27H42O3F2 (452.31018459999996)
24,24-difluoro-1alpha,25-dihydroxyvitamin D3
C27H42O3F2 (452.31018459999996)
(17E)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a-homovitamin D3
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a-homovitamin D3
1alpha,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-hexadehydro-24a-homovitamin D3
(22E,24E,24bE)-1alpha,25-dihydroxy-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3
[4-(4-propylcyclohexyl)cyclohexyl] 4-(4-propylcyclohexyl)benzoate
POLY(LAURYL METHACRYLATE-CO-ETHYLENE GLYCOL DIMETHACRYLATE)
8α-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnaMate
N-(2-ethoxyphenyl)-N-(4-isododecylphenyl)oxamide
C28H40N2O3 (452.30387700000006)
Boldenone undecylenate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(TRANS,TRANS)-4-PROPYL[1,1-BICYCLOHEXYL]-4-CARBOXYLIC ACID-4- (TRANS-4-PROPYLCYCLOHEXYL)PHENYL ESTER
2-(4-DODECYLOXYPHENYL)-5-OCTYLPYRIMIDINE
C30H48N2O (452.37664379999995)
(24S)-5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol with S-configuration at C-24.
23,23-difluoro-1alpha,25-dihydroxyvitamin D3/23,23-difluoro-1alpha,25-dihydroxycholecalciferol
C27H42F2O3 (452.31018459999996)
[(2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azaniumyl)-3-[[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-5-methyloxan-4-yl]-methylazanium
C19H42N5O7+5 (452.30840820000003)
[3-carboxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl]-trimethylazanium
C27H50NO4+ (452.37396400000006)
(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
(5Z)-5-[(2E)-2-[1-(5,5-difluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
C27H42F2O3 (452.31018459999996)
[3-carboxy-2-[(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoyl]oxypropyl]-trimethylazanium
C25H42NO6+ (452.30119720000005)
[3-carboxy-2-[(10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoyl]oxypropyl]-trimethylazanium
C25H42NO6+ (452.30119720000005)
[3-carboxy-2-[(8E,11E)-icosa-8,11-dienoyl]oxypropyl]-trimethylazanium
C27H50NO4+ (452.37396400000006)
[3-Carboxy-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[10-(3,4-dimethyl-5-propylfuran-2-yl)decanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[11-(5-ethyl-3,4-dimethylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(5-hexyl-3,4-dimethylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[8-(3,4-dimethyl-5-pentylfuran-2-yl)octanoyloxy]propyl]-trimethylazanium
[2-[9-(5-Butyl-3,4-dimethylfuran-2-yl)nonanoyloxy]-3-carboxypropyl]-trimethylazanium
[3-Carboxy-2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
8alpha-Hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate
A natural product found in Metasequoia glyptostroboides.
(2E,4E)-2-methyl-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hepta-2,4-dienoic acid
5alpha-cholestan-3beta,6alpha,8beta,15alpha,24S-triol
4-(dimethylamino)-N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide
C22H40N6O4 (452.31108800000004)
4-(dimethylamino)-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
C22H40N6O4 (452.31108800000004)
4-(dimethylamino)-N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
C22H40N6O4 (452.31108800000004)
4-(dimethylamino)-N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
C22H40N6O4 (452.31108800000004)
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-tetradec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetradec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
[(2S)-2-hydroxy-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] dihydrogen phosphate
C23H49O6P (452.32665840000004)
[2-(Carboxymethyl)-2-hydroxy-3-oxodocosa-4,6-dienyl]-trimethylazanium
C27H50NO4+ (452.37396400000006)
(1-hexanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
[2-(Heptanoylamino)-3-hydroxynonyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Hexanoylamino)-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Butanoylamino)-3-hydroxydodecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(propanoylamino)tridecyl] 2-(trimethylazaniumyl)ethyl phosphate
(2-Acetamido-3-hydroxytetradecyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(pentanoylamino)undecyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-hydroxy-3-octanoyloxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
[3-Hydroxy-2-(octanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-heptanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
2-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
(25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol
(5Z,7E,16Z,22E,24E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestahexaene-1,3,25-triol
(5Z,7E,16Z,22E,24E)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestahexaene-1,3,25-triol
DG(24:2)
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2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-ene-11,22-dione
2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-(undecan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
3-methyl-6-(1-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}ethyl)-5,6-dihydropyran-2-one
6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid
(2e,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal
3-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-(2-methylprop-1-en-1-yl)oxolan-2-one
(2s)-2-[(1s,3as,5ar,9ar,9br,11as)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-4-oxohept-5-enal
(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-6,14-dione
(2z,5r,7e,11z)-2-[3-(furan-3-yl)propylidene]-8,12,16-trimethyl-5-(prop-1-en-2-yl)heptadeca-7,11,15-trienoic acid
(3r,3ar,5as,7as,11as,13as,13br)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,7h,7ah,10h,11h,13h,13bh-cyclopenta[a]chrysene-6,9,12-trione
(1r,3ar,5ar,5bs,7as,11as,11bs,13ar,13br)-3a,5a,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysene-5b-carboxylic acid
(2e)-5-[(1s,4ar,5r,8ar)-2,5,8a-trimethyl-5-{[(3-phenylpropanoyl)oxy]methyl}-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
(1r,3as,9as,9bs,11as)-1-[(2r,5r)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-9a-methyl-7-oxo-1h,2h,3h,3ah,3bh,9bh,10h,11h-cyclopenta[a]phenanthrene-11a-carboxylic acid
4,5-dihydroxy-6-methyl-2-({1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl}oxy)oxan-3-yl 2-methylbutanoate
(6r)-3-methyl-6-[(1s)-1-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]ethyl]-5,6-dihydropyran-2-one
(1r,2s,5z,9r)-6-({[(1s,5r,9r)-10,10-dimethyl-2,6-dimethylidene-7-oxobicyclo[7.2.0]undecan-5-yl]oxy}methyl)-2,10,10-trimethylbicyclo[7.2.0]undec-5-en-4-one
[5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-3,4,5,6,8,8a,11,12,14,14b-decahydro-1h-picene-2-carboxylic acid
2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid
(6e,10e)-6,10-dimethyl-12-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trien-1-yl acetate
(1r,2r,5s,6r,9r,14r,15r,19s,21r)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-ene-11,22-dione
n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-4-hydroxybenzamide
2,9,13,17,17-pentamethyl-7-(4-methylpent-3-en-1-yl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-6,16-dione
2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione
1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-3,5,5a,7-tetrol
(5r)-5-[(2r)-2-[(1r,3ar,5ar,9ar,9bs,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]propyl]-3-methyl-5h-furan-2-one
(6r)-6-[(1r,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid
(3r,5s)-3-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one
(2z,6r)-6-[(4ar,6br,9r,10as,11bs)-4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1h,2h,4ah,5h,6h,7h,8h,9h,10ah,11h-cyclohexa[a]fluoren-9-yl]-2-methylhept-2-enoic acid
(2e)-6-{4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1h,2h,4ah,5h,6h,6ah,7h,8h,9h,10ah-cyclohexa[a]fluoren-9-yl}-2-methylhept-2-enoic acid
3,9-bis(2-methylpropyl)-6,12-bis(sec-butyl)-1,4,7,10-tetraazacyclododeca-1,4,7,10-tetraene-2,5,8,11-tetrol
5-(2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}propyl)-3-methyl-5h-furan-2-one
(1r,3as,3br,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(4as,6as,6br,8ar,12as,12br)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b-decahydro-1h-picene-4a-carboxylic acid
(2r,6r,14r,19s,21s)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-ene-11,22-dione
2α,3β-dihydroxy-28-norurs-12,17,19(20),21-te-traen-23-oiccid
{"Ingredient_id": "HBIN005224","Ingredient_name": "2\u03b1,3\u03b2-dihydroxy-28-norurs-12,17,19(20),21-te-traen-23-oiccid","Alias": "NA","Ingredient_formula": "C29H40O4","Ingredient_Smile": "CC1=C(C2=C(CCC3(C2=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C)C=C1)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15125","TCMID_id": "6054","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-oxo-11,13(18)-oleanadien-28-oicacid
{"Ingredient_id": "HBIN009394","Ingredient_name": "3-oxo-11,13(18)-oleanadien-28-oicacid","Alias": "NA","Ingredient_formula": "C30H44O3","Ingredient_Smile": "CC1(CCC2(CCC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16389","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-oxo-oleans-12-en-28-oic acid
{"Ingredient_id": "HBIN009433","Ingredient_name": "3-oxo-oleans-12-en-28-oic acid","Alias": "NA","Ingredient_formula": "C31H48O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25396","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-cyprinol
{"Ingredient_id": "HBIN011415","Ingredient_name": "5\u03b1-cyprinol","Alias": "NA","Ingredient_formula": "C27H48O5","Ingredient_Smile": "CC(CCCC(CO)CO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4581","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5 beta-bufol sufate
{"Ingredient_id": "HBIN011461","Ingredient_name": "5 beta-bufol sufate","Alias": "NA","Ingredient_formula": "C27H48O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30686","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β-bufol sulfate
{"Ingredient_id": "HBIN011462","Ingredient_name": "5\u03b2-bufol sulfate","Alias": "NA","Ingredient_formula": "C27H48O5","Ingredient_Smile": "CC(CCCC(C)(CO)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8α-hydroxyabda-13(16),14-dien-19-yl-(z)-4-hy-droxycinnamate
{"Ingredient_id": "HBIN013630","Ingredient_name": "8\u03b1-hydroxyabda-13(16),14-dien-19-yl-(z)-4-hy-droxycinnamate","Alias": "NA","Ingredient_formula": "C29H40O4","Ingredient_Smile": "CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10299","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ananosicacid c
{"Ingredient_id": "HBIN015979","Ingredient_name": "ananosicacid c","Alias": "NA","Ingredient_formula": "C30H44O3","Ingredient_Smile": "CC(CCC=C(C)C(=O)O)C1CCC2(C1C(=C)CC3C2=CCC4C3(CCC(=O)C4(C)C)C)C","Ingredient_weight": "452.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44559522","DrugBank_id": "NA"}