Exact Mass: 414.26441960000005
Exact Mass Matches: 414.26441960000005
Found 500 metabolites which its exact mass value is equals to given mass value 414.26441960000005
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lupulone
Lupulone is found in alcoholic beverages. Lupulone is a constituent of hops
Sodium Deoxycholate
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Deoxycholic acid sodium salt (sodium deoxycholate), a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5[1][2]. Deoxycholic acid sodium salt (sodium deoxycholate), a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5[1][2].
Ascorbyl palmitate
Antioxidant.Ascorbyl palmitate is an ester formed from ascorbic acid and palmitic acid creating a fat-soluble form of vitamin C. In addition to its use as a source of vitamin C, it is also used as an antioxidant food additive (E number E304). Oral supplements of ascorbyl palmitate are less effective, due to the substance breaking down again into its components before being digested. Ascorbyl palmitate is also marketed as "vitamin C ester D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents Antioxidant
Adlupulone
Adlupulone is found in alcoholic beverages. Adlupulone is a constituent of hops
11'-Carboxy-alpha-tocotrienol
11-Carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 11-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1\\% of all research into vitamin E. 11-Carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 11-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
N-Myristoyl Tryptophan
C25H38N2O3 (414.28822779999996)
N-myristoyl tryptophan belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Myristic acid amide of Tryptophan. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Myristoyl Tryptophan is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Myristoyl Tryptophan is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(10R,13S,17S)-17-Hydroxy-13-methyl-10-[(4-methylphenyl)methyl]-17-prop-1-ynyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
delta9-Tetrahydrocannabinol hemisuccinate
Desoxycorticosterone pivalate
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
2-[2-[(1R,2R)-1-(5-Tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
C24H34N2O4 (414.25184440000004)
N-[2-[1-(5-Tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
C24H34N2O4 (414.25184440000004)
22-Hydroxy-24-methylsedn-16-en-24-one-12beta,25beta-olide
[4aS-[4aalpha,5alpha,6alpha(Z),7alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid
[4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid
[4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
[4aS-[4aalpha,5alpha(Z),6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-acetic acid 1-methyl-1-propenyl ester
[4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid
NONAETHYLENE GLYCOL
C18H38O10 (414.24648479999996)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 10 INTERNAL_ID 10; CONFIDENCE Reference Standard (Level 1)
Lupulone
Lupulone is a beta-bitter acid in which the acyl group is specified as 3-methylbutanoyl. It has a role as an antimicrobial agent, an apoptosis inducer, an angiogenesis inhibitor and an antineoplastic agent. It is a conjugate acid of a lupulone(1-). Lupulone is a natural product found in Humulus lupulus with data available. A beta-bitter acid in which the acyl group is specified as 3-methylbutanoyl.
22-hydroxy-24-methyl-12,24-dioxoscalar-16-en-25-al
3beta-senecioyloxy-6beta-tigloyloxy-10betaH-furanoeremophilane
2alpha-angeloyloxy-15,16-epoxylabda-7,13(16),14-trien-18-oic acid
8alpha-hydroxylabd-13(14),15,17-trien-6alpha,23-16,19-diolide
19-norpregna-1,3,5(10),20-tetraen-3-O-beta-arabinopyranoside
20-Deoxy,5-angeloyl-Ingenol|20-deoxyingenol-5-angelate
11alpha,15alpha-diacetoxy-17alpha-pregna-4,20-dien-3-one
fukanedone A|rel-3(S)-(2-hydroxy-4-methoxybenzoyl)-4(R),5(R)-dimethyl-5-[4,8-dimethyl-3(E)-7-nonadien-1-yl]tetrahydro-2-furanone
3beta-Acetoxy-5beta,20xi-dihydroxy-21-nor-8(14),22-choladiensaeure-gamma-lacton
3, 15-Diangeloyl-3-beta-Furanoeremophilane-3, 15-diol
3beta-angeloyloxy-6beta-senecioyloxy-10beta-H-furanoeremophilane
1beta,6beta-diangeloyloxy-10betaH-furanoeremophilane
11,12-Dihydroxy-19-(3-methyl-2-butenoyloxy)-8,11,13-abietatrien-7-on
<4S,5S,7S,8S>-8-Feruloyloxy-1(10)-guaien-11-ol|[4S,5S,7S,8S]-8-Feruloyloxy-1(10)-guaien-11-ol
(4E,8E)-1-(2,4-dihydroxyphenyl)-2-methoxycarbonyl-5,9,13-trimethyltetradeca-4,8,12-trien-1-one|ferulaeone A
2-(omega-piperonyltridecyl)-4-methylidentetronic acid (iryelliptin)|Iryelliptin
1beta,6beta-disenecioyloxy-10betaH-furanoeremophilane
3,7-dimethyl-1-<2-O-(2-methylbutyroyl)-3-O-acetyl-beta-D-xylopyranosyloxy>-6-octene|3,7-dimethyl-1-[2-O-(2-methylbutyroyl)-3-O-acetyl-beta-D-xylopyranosyloxy]-6-octene
3beta,6beta-disenecioyloxy-10beta-H-furanoeremophilane
ADLUPULONE
A beta-bitter acid in which the acyl group is specified as 2-methylbutanoyl.
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2Z)
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based: Match]
Deoxycholic Acid
Deoxycholic acid sodium salt (sodium deoxycholate), a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5[1][2]. Deoxycholic acid sodium salt (sodium deoxycholate), a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5[1][2].
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6-keto Testosterone Enanthate
Ascorbyl palmitate
D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000970 - Antineoplastic Agents
2-{5-[2-({2-[5-(2-Hydroxybutyl)tetrahydro-2-furanyl]propanoyl}oxy)butyl]tetrahydro-2-furanyl}propanoic acid
9-Hydroxy-1-(2,6-dyihydroxy-4-methoxyphenyl)-6Z,10E,12Z,15Z-octadecatetraen-1-one
Oxabolone cipionate
A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Desoxycorticosterone pivalate
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
2-ethylhexyl prop-2-enoate,2-hydroxyethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate
Gestonorone caproate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
[S-(R*,R*)]-4-(2-methylbutyl)phenyl 4-(2-methylbutyl)[1,1-biphenyl]-4-carboxylate
trans,trans-3,4,5-Trifluoro-4-(4-propylbicyclohexyl-4-yl)biphenyl
N,N-Bis(2-hydroxyethyl)-N,N,N,N-tetramethyl-beta,beta-dioxo-[1,1-biphenyl]-4,4-diethanaminium
C24H34N2O4+2 (414.25184440000004)
Propidium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D004396 - Coloring Agents
Hemicholinium
C24H34N2O4+2 (414.25184440000004)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents D049990 - Membrane Transport Modulators
CID 15594425
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
seco-plakortolide P
A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl group at position 5 and a methyl group at position 5 (the 4S,5S stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata.
seco-plakortolide O
A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl group at position 5 and a methyl group at position 5 (the 4R,5R stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata.
5-Hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-4-cyclohexene-1,3-dione
Desoxycorticosterone pivalate
2-[2-[(1R,2R)-1-(5-Tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
C24H34N2O4 (414.25184440000004)
Sodium Deoxycholate
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Deoxycholic acid sodium salt (sodium deoxycholate), a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5[1][2]. Deoxycholic acid sodium salt (sodium deoxycholate), a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5[1][2].
5-ethyl-2-[(1E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-1,5,7,11-tetraenyl]-6-methoxy-3-methylpyran-4-one
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
(3R)-[(10S)-11-epoxyfarnesyl]-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate
C25H34O5-2 (414.24061140000003)
1-[2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyrrolidinecarboxamide
C23H34N4O3 (414.26307740000004)
(1S)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-N-propan-2-yl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
C23H34N4O3 (414.26307740000004)
1-[(2S,3S)-2-(hydroxymethyl)-1-(oxan-4-ylmethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
C24H34N2O4 (414.25184440000004)
[(8R,9S,10R)-6-(2-pyridinylmethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-6-(2-pyridinylmethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-6-(2-pyridinylmethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-N-propan-2-yl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
C23H34N4O3 (414.26307740000004)
[2-hydroxy-2-[(2R)-3-hydroxy-4,5-dioxooxolan-2-yl]ethyl] hexadecanoate
[(2S)-2-hydroxy-2-[(2S)-3-hydroxy-4,5-dioxooxolan-2-yl]ethyl] hexadecanoate
methyl (3R)-6-hydroxy-2,3,5-trimethyl-4-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-1,5-diene-1-carboxylate
N-Acetyl-glycyl-isoleucyl-isoleucyl-glycine methyl ester
[1-carboxy-3-[3-[(6E,9E)-dodeca-6,9-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
C22H40NO6+ (414.28554800000006)
GBR 12935
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
(1'r,2s,3s,3'r,5r,7'r,10'e)-5-[(1e)-3-hydroxy-2-methylprop-1-en-1-yl]-10'-(hydroxymethyl)-3,3',14'-trimethylspiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-10',13'-diene-9',12'-dione
7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-6-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1r,2r,6s,10s,11r,13s,15r)-1-hydroxy-4,8,12,12,15-pentamethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2r)-2,3-dimethylbutanoate
{3,7,9-trimethyl-4-[(2-methylbut-2-enoyl)oxy]-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-3-yl}methyl 2-methylbut-2-enoate
(1r,5s,7r)-4-hydroxy-5,8,8-trimethyl-1,7-bis(3-methylbut-2-en-1-yl)-3-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
(1s,5s,7r)-4-hydroxy-1,6,6-trimethyl-5,7-bis(3-methylbut-2-en-1-yl)-3-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
[(1s,4as,10ar)-5-hydroxy-7-isopropyl-1,4a-dimethyl-6,10-dioxo-2,3,4,10a-tetrahydrophenanthren-1-yl]methyl 3-methylbutanoate
(1r,3s,5r,7s,9s)-3-acetyl-4,4,7-trimethyl-9-(3-methylbut-2-en-1-yl)-9-(2-methylpropanoyl)tricyclo[5.3.1.0¹,⁵]undecane-8,10,11-trione
1-hydroxy-4,8,12,12,15-pentamethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2,3-dimethylbutanoate
3,4a,5-trimethyl-8-[(3-methylbut-2-enoyl)oxy]-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl 3-methylbut-2-enoate
(2r,5r,9r,13s,15s)-15-hydroxy-6-[(2e,4s,5s)-5-hydroxy-4-methoxyhex-2-en-2-yl]-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
(2r,2'r,4'as,6'r,8'as)-7-formyl-4-hydroxy-2',5',5',6,8'a-pentamethyl-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate
2-methoxy-3,5-dimethyl-6-[(1s,3s,4r,5s,6s)-1,3,6-trimethyl-4-[(2z,4r)-4-methyl-5-oxohept-2-en-2-yl]-2-oxobicyclo[3.1.0]hexan-6-yl]pyran-4-one
(2r,3r,4s,5r)-4-(acetyloxy)-2-{[(3r)-3,7-dimethyloct-6-en-1-yl]oxy}-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate
2,6,6,9-tetramethyl-5-[(2-methylbut-2-enoyl)oxy]-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-3-yl 2-methylbut-2-enoate
[3,5-dimethyl-5-(2-methyl-12-phenyldodeca-9,11-dien-1-yl)-1,2-dioxolan-3-yl]acetic acid
5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl 2-methylbut-2-enoate
12-(6-hydroxy-5-methoxy-6-methylhept-3-en-2-yl)-1,4-dimethyl-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carbaldehyde
(4s,4as,5r,6s,8ar)-3,4a,5-trimethyl-6-[(3-methylbut-2-enoyl)oxy]-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
3-acetyl-4,4,7-trimethyl-9-(3-methylbut-2-en-1-yl)-9-(2-methylpropanoyl)tricyclo[5.3.1.0¹,⁵]undecane-8,10,11-trione
7-formyl-4-hydroxy-2',5',5',6,8'a-pentamethyl-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate
(4s,4as,5r,6s,8ar)-3,4a,5-trimethyl-6-[(3-methylbut-2-enoyl)oxy]-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl (2e)-2-methylbut-2-enoate
[(1s,4as,10ar)-5,6-dihydroxy-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl]methyl 3-methylbut-2-enoate
4-(acetyloxy)-2-[(3,7-dimethyloct-6-en-1-yl)oxy]-5-hydroxyoxan-3-yl 2-methylbutanoate
(1r,2r,3s,5s,7s,8r)-2,6,6,9-tetramethyl-5-[(2-methylbut-2-enoyl)oxy]-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-3-yl 2-methylbut-2-enoate
(1r,2r,4as,8as)-1-[2-(furan-3-yl)ethyl]-1,2-dimethyl-5-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-2,3,4,7,8,8a-hexahydronaphthalene-4a-carboxylic acid
(2z)-4-[(4s,5s,6r,9s,10r,12r,14r)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl]-2-methylbut-2-enoic acid
(4r)-4-[(1s,3br,4r,5ar,9ar,9br,11as)-4-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]oxolan-2-one
(1r,2r,3r,5r,7s,8r)-2,6,6,9-tetramethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-3-yl (2z)-2-methylbut-2-enoate
5-[2-(furan-3-yl)ethyl]-1,4a,6-trimethyl-3-[(2-methylbut-2-enoyl)oxy]-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid
4-[(1s,3e,7e)-1-hydroxy-4,8-dimethyl-11-[(3e,5r)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]undeca-3,7-dien-1-yl]-5h-furan-2-one
3-epi-o-methyl-scilliphaeosidin
{"Ingredient_id": "HBIN008496","Ingredient_name": "3-epi-o-methyl-scilliphaeosidin","Alias": "NA","Ingredient_formula": "C25H34O5","Ingredient_Smile": "CC12CCC(C=C1CCC3C2CC(C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6969","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-epi-leopersin f
{"Ingredient_id": "HBIN013177","Ingredient_name": "7-epi-leopersin f","Alias": "NA","Ingredient_formula": "C22H38O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12647","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 5,9-dimethyl-15-[(2-methylbut-2-enoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
3-ethyl-6-[(1e,5e,7e,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-1,5,7,11-tetraen-1-yl]-2-methoxy-5-methylpyran-4-one
(1'r,2s,3r,4s,10'r,11'r,12's)-6'-(hydroxymethyl)-5'-methoxy-4,5,5,10',12'-pentamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol
(2e,6z)-6-[(4e,8e)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dien-1-ylidene]-2-methylhept-2-enedioic acid
9-hydroxy-10-isopropyl-3,7-dimethylcyclodeca-3,7-dien-1-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2s,6r,6as,10ar,10br)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1h,2h,6h,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-6-yl (2r)-2-methylbutanoate
4-formyl-2-methoxyphenyl (9z,12z)-octadeca-9,12-dienoate
4-[(1r,3e,7e)-1-hydroxy-4,8-dimethyl-11-[(3z)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]undeca-3,7-dien-1-yl]-5h-furan-2-one
(4bs,6ar,7s,10ar,10bs)-7-[(acetyloxy)methyl]-2-(carboxymethyl)-4b,7,10a-trimethyl-4ah,5h,6h,6ah,8h,9h,10h,10bh,11h,12h-naphtho[2,1-f]isoquinolin-4a-yl
C25H36NO4 (414.26441960000005)
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-[(2r)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
(4s,4as,5r,6s,8ar)-3,4a,5-trimethyl-6-{[(2z)-2-methylbut-2-enoyl]oxy}-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
(3r,5ar,6r,9ar)-12-hydroxy-6-[(1r,3r)-3-hydroxy-2,2-dimethylcyclobutyl]-3,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-3h-2,10-dioxatetraphen-1-one
(1r,3r,5r,7s,9s)-3-acetyl-4,4,7-trimethyl-9-(3-methylbut-2-en-1-yl)-9-(2-methylpropanoyl)tricyclo[5.3.1.0¹,⁵]undecane-8,10,11-trione
4-(hydroxymethyl)-4,5-dimethyl-6-[3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]hexa-2,5-dienoic acid
(1r,3s,4r,4ar)-4,4a-dimethyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}-7-oxo-6-(propan-2-ylidene)-2,3,4,5-tetrahydro-1h-naphthalen-1-yl (2e)-2-methylbut-2-enoate
2-methoxy-3,5-dimethyl-6-[1,3,6-trimethyl-4-(4-methyl-5-oxohept-2-en-2-yl)-2-oxobicyclo[3.1.0]hexan-6-yl]pyran-4-one
(1r,4s,7r,7ar)-7-(hydroxymethyl)-7a-methyl-1-(2-methylidene-3-oxopropyl)-2-oxo-4,5,6,7-tetrahydro-1h-inden-4-yl (2e,4e)-4-methylnona-2,4-dienoate
2-{5-[2-({2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyl}oxy)butyl]oxolan-2-yl}propanoic acid
3-ethyl-6-[(2e,5e,7e,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-2-methoxy-5-methylpyran-4-one
methyl (1s,4s,5s,9s,10r,13r)-9-methyl-5-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
[(3r,5r)-3,5-dimethyl-5-[(7e,11z)-2-methyl-12-phenyldodeca-7,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid
15-hydroxy-6-(5-hydroxy-2-methoxyhex-3-en-2-yl)-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
(2r,5s,9r,13s,15s)-15-hydroxy-6-[(2s,3e,5r)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
(2r,5r,9r,13s,15s)-15-hydroxy-6-[(2e,4s,5r)-5-hydroxy-4-methoxyhex-2-en-2-yl]-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
methyl (1s,4s,5s,6s,9s,10r,13r)-5,9-dimethyl-6-[(3-methylbut-2-enoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl 5,9-dimethyl-15-[(3-methylbut-2-enoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2r,5s,6s,9r,13r,15s)-15-hydroxy-6-[(2s,3e,5r)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
4-hydroxy-5,8,8-trimethyl-1,7-bis(3-methylbut-2-en-1-yl)-3-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
[(3s,5r)-3,5-dimethyl-5-[(2r,9e,11e)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid
(2s)-1-[(2s,5r)-5-[(2r)-1-ethoxy-1-oxopropan-2-yl]oxolan-2-yl]propan-2-yl (2s)-2-[(2s,5r)-5-[(2r)-2-hydroxypropyl]oxolan-2-yl]propanoate
3-{[(1r,4as,4br,7s,8ar,10as)-7-hydroxy-4b,8,8,10a-tetramethyl-2-methylidene-decahydrophenanthren-1-yl]methyl}-4-hydroxy-6-methylpyran-2-one
(2r,5s,6s,9r,13r,15s)-15-hydroxy-6-[(2s,3e,5s)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
(2r,5r,6r,9r,13s,15s)-15-hydroxy-6-[(2z,4s)-5-hydroxy-4-methoxyhex-2-en-2-yl]-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
{5,9-dimethyl-15-[(2-methylbut-2-enoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}acetic acid
5-[14-(3,5-dihydroxyphenyl)tetradecyl]benzene-1,3-diol
methyl (1r,4s,5s,9s,10s,13r,15s)-5,9-dimethyl-15-{[(2z)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl (1r,4s,5r,9s,10s,13r,15s)-5,9-dimethyl-15-{[(2z)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(1s,2s,5s,8r,9r,12s,14r)-12-ethyl-8-hydroxy-5-[(2r)-2-hydroxybutyl]-2,9-dimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
methyl (1r,4s,5s,6r,9s,10r,13s)-5,9,13-trimethyl-6-{[(2e)-2-methylbut-2-enoyl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylate
3-ethyl-6-[(2e,5e,7e,9r,10s,11z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-2-methoxy-5-methylpyran-4-one
[(1r,4r,5s,9r,10s,13r,15s)-5,9-dimethyl-15-{[(2z)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]acetic acid
(4br,7s,10ar)-7-[(acetyloxy)methyl]-2-(carboxymethyl)-4b,7,10a-trimethyl-5h,6h,6ah,8h,9h,10h,10bh,11h,12h-naphtho[2,1-f]isoquinolin-2-ium
[C25H36NO4]+ (414.26441960000005)
18-hydroxy-1,7,11,15,19,19-hexamethyl-6,10-dioxapentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]docosa-4(9),7-dien-5-one
n-[(1s)-2-hydroxy-1-{[(2s)-1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-c-hydroxycarbonimidoyl}ethyl]-7-methyloctanimidic acid
18-hydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]docosa-4(9),6-dien-5-one
3-ethyl-6-[(1e,3r,5e,7e,9s,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-1,5,7,11-tetraen-1-yl]-2-methoxy-5-methylpyran-4-one
(1r,5r,7r)-4-hydroxy-5,8,8-trimethyl-1,7-bis(3-methylbut-2-en-1-yl)-3-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
(1r,3s,7r,8e,11s,12r)-12-[(2s)-6-hydroxy-5-methoxy-6-methylhept-3-en-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carbaldehyde
(2e)-3-(3,5-dimethoxy-4-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}phenyl)prop-2-en-1-ol
ethyl 2-{5-[2-({2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyl}oxy)propyl]oxolan-2-yl}propanoate
(2r)-2-[(2r,5s)-5-[(2s)-2-{[(2s)-2-[(2s,5r)-5-[(2r)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxy}butyl]oxolan-2-yl]propanoic acid
12-ethyl-8-hydroxy-5-(2-hydroxybutyl)-2,9-dimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
4-hydroxy-3,5-dimethyl-6-[(2z,4e,7e)-4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl]pyran-2-one
methyl (1r,4s,5r,9s,10s,13r,15s)-5,9-dimethyl-15-{[(2e)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl 5,9-dimethyl-6-[(2-methylbut-2-enoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl 5,9,13-trimethyl-6-[(2-methylbut-2-enoyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylate
(4ar,5r,6r,7s,8ar)-3,4a,5-trimethyl-7-{[(2z)-2-methylbut-2-enoyl]oxy}-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl (2z)-2-methylbut-2-enoate
(2e,4s,5e)-6-[(1s,6s,8r,8ar)-3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]-4-(hydroxymethyl)-4,5-dimethylhexa-2,5-dienoic acid
methyl (1s,4s,5s,6r,9s,10r,13r)-5,9-dimethyl-6-[(3-methylbut-2-enoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
4-hydroxy-3-[(7-hydroxy-4b,8,8,10a-tetramethyl-2-methylidene-decahydrophenanthren-1-yl)methyl]-6-methylpyran-2-one
(1r,3s,4r,4ar)-4,4a-dimethyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}-7-oxo-6-(propan-2-ylidene)-2,3,4,5-tetrahydro-1h-naphthalen-1-yl (2z)-2-methylbut-2-enoate
3-ethyl-6-[(3r,9s,10r)-10-hydroxy-3,7,9,11-tetramethyltrideca-1,5,7,11-tetraen-1-yl]-2-methoxy-5-methylpyran-4-one
methyl (1s,4s,5s,6s,9s,10s,13r)-5,9-dimethyl-6-{[(2e)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
1-[5,7-dihydroxy-2-methyl-3-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-8-yl]-2-methylbutan-1-one
(5,6-dihydroxy-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl)methyl 3-methylbut-2-enoate
(2s,2's,3ar,4'ar,8'as)-2',3a,4,5',5',7,8'a-heptamethyl-6,6'-dioxo-2',3',4',4'a,7',8'-hexahydro-3h-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylic acid
(1r,4s,4as,8ar)-1-[2-(furan-3-yl)ethyl]-5,5,8a-trimethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
[3-hydroxy-5-(14-methylpentadecyl)phenyl]oxidanesulfonic acid
C22H38O5S (414.24398180000003)