Exact Mass: 431.3008628
Exact Mass Matches: 431.3008628
Found 302 metabolites which its exact mass value is equals to given mass value 431.3008628,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Peimine
Verticine is an alkaloid. Peimine is a natural product found in Fritillaria anhuiensis, Fritillaria cirrhosa, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Peimine (Verticine) is a natural compound with excellent anti-inflammatory activity. Peimine (Verticine) is a natural compound with excellent anti-inflammatory activity.
Zhebeinine
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids
Solanocardinol
22-Isopimpifolidine is found in garden tomato. 22-Isopimpifolidine is an alkaloid from roots of Lycopersicon pimpinellifolium (currant tomato). Alkaloid from roots of Lycopersicon pimpinellifolium (currant tomato). 22-Isopimpifolidine is found in garden tomato.
alpha-hydroxysalmeterol
C25H37NO5 (431.26715920000004)
alpha-hydroxysalmeterol is a metabolite of salmeterol. Salmeterol is a long-acting beta2-adrenergic receptor agonist drug that is currently prescribed for the treatment of asthma and chronic obstructive pulmonary disease(COPD). It is currently available as a dry powder inhaler that releases a powdered form of the drug. Before 2008, it was also available as a metered-dose inhaler (MDI). (Wikipedia)
N-Stearoyl phenylalanine
N-stearoyl phenylalanine 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 Stearic acid amide of Phenylalanine. 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-Stearoyl phenylalanine 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-Stearoyl phenylalanine 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.
N-Eicosapentaenoyl Glutamic acid
C25H37NO5 (431.26715920000004)
N-eicosapentaenoyl glutamic acid 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 an Eicosapentaenoic acid amide of Glutamic acid. 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-Eicosapentaenoyl Glutamic acid 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-Eicosapentaenoyl Glutamic acid 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.
Aglepristone
Peimine
5-acetyloxy-2-amino-3,4,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
Phomacin B
C25H37NO5 (431.26715920000004)
A cytochalasin isolated from a fungus Phoma sp. that has been shown to possess potent inhibitory activity against HT-29 colonic adenocarcinoma cells.
Phomacin A
C25H37NO5 (431.26715920000004)
A cytochalasin isolated from a fungus Phoma sp. that has been shown to possess potent inhibitory activity against HT-29 colonic adenocarcinoma cells.
2-(diaminomethylideneamino)-3,4,5,14-tetrahydroxyicos-6-enoic acid
C21H41N3O6 (431.29952060000005)
Korseveriline
Origin: Plant; SubCategory_DNP: Steroidal alkaloids, Cevanine alkaloids
(20R,22S,25R)-5alpha-cevane-3alpha,6beta,7alpha-triol|3alpha-puqiedin-7-ol
hexahydrobrachystamide-D|tetrahydrobrachystamide-E
1-oleyl ester of 3-(N-phenylamino)-1,2-propanediol|1-oleyl MPAP|2-hydroxy-3-(N-phenylamino)propyl oleate|3-phenylamino-1,2-propanediol 1-mono-oleoyl ester|3-phenylamino-1,2-propanediol monooleylester
Ala Thr Ile Lys
Isopeimine
Isoverticine is a natural product found in Fritillaria anhuiensis, Fritillaria thunbergii, and Fritillaria ebeiensis with data available. Isoverticine, a bioactive isosteroidal alkaloid isolated from bulbus of Fritillaria pallidiflora, displays significant cytotoxicity[1]. Isoverticine, a bioactive isosteroidal alkaloid isolated from bulbus of Fritillaria pallidiflora, displays significant cytotoxicity[1].
(E,2S,3R,4R,5S)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid
C22H41NO7 (431.28828760000005)
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
Isoverticine
Origin: Plant; SubCategory_DNP: Steroidal alkaloids, Veratrum alkaloids Isoverticine, a bioactive isosteroidal alkaloid isolated from bulbus of Fritillaria pallidiflora, displays significant cytotoxicity[1]. Isoverticine, a bioactive isosteroidal alkaloid isolated from bulbus of Fritillaria pallidiflora, displays significant cytotoxicity[1].
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]
C22H41NO7 (431.28828760000005)
3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848436]
C22H41NO7 (431.28828760000005)
3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based: Match]
C22H41NO7 (431.28828760000005)
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based: Match]
C22H41NO7 (431.28828760000005)
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid_major
C22H41NO7 (431.28828760000005)
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid_97.3\\%
C22H41NO7 (431.28828760000005)
Ala Ile Lys Thr
Ala Ile Thr Lys
Ala Lys Ile Thr
Ala Lys Leu Thr
Ala Lys Thr Ile
Ala Lys Thr Leu
Ala Leu Lys Thr
Ala Leu Thr Lys
Ala Thr Lys Ile
Ala Thr Lys Leu
Ala Thr Leu Lys
Ile Ala Lys Thr
Ile Ala Thr Lys
Ile Lys Ala Thr
Ile Lys Thr Ala
Ile Thr Ala Lys
Ile Thr Lys Ala
Lys Ala Ile Thr
Lys Ala Leu Thr
Lys Ala Thr Ile
Lys Ala Thr Leu
Lys Ile Ala Thr
Lys Ile Thr Ala
Lys Leu Ala Thr
Lys Leu Thr Ala
Lys Ser Val Val
Lys Thr Ala Ile
Lys Thr Ala Leu
Lys Thr Ile Ala
Lys Thr Leu Ala
Lys Val Ser Val
Lys Val Val Ser
Leu Ala Lys Thr
Leu Ala Thr Lys
Leu Lys Ala Thr
Leu Lys Thr Ala
Leu Thr Ala Lys
Leu Thr Lys Ala
Ser Lys Val Val
Ser Val Lys Val
Ser Val Val Lys
Thr Ala Ile Lys
Thr Ala Lys Ile
Thr Ala Lys Leu
Thr Ala Leu Lys
Thr Ile Ala Lys
Thr Ile Lys Ala
Thr Lys Ala Ile
Thr Lys Ala Leu
Thr Lys Ile Ala
Thr Lys Leu Ala
Thr Leu Ala Lys
Thr Leu Lys Ala
Val Lys Ser Val
Val Lys Val Ser
Val Ser Lys Val
Val Ser Val Lys
Val Val Lys Ser
Val Val Ser Lys
Sphingofungin A
C21H41N3O6 (431.29952060000005)
Sphingofungin C
C22H41NO7 (431.28828760000005)
Sphingofungin D
C22H41NO7 (431.28828760000005)
ethyl amide
C25H37NO5 (431.26715920000004)
Pimpifolidine
[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium acetate
C27H33N3O2 (431.25726380000003)
dodecyl benzenesulfonate,2-(2-hydroxyethylamino)ethanol
C22H41NO5S (431.2705296000001)
Tris(4-tert-butylphenyl)sulfoniumperfluoro-1-butanesulfonate
1-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-N-tert-butyl-4-cyclo hexyl-piperidine-4-carboxamide
6-AMINO-5-(2,2-DIETHOXYETHYL)-2-((4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)AMINO)PYRIMIDIN-4(3H)-ONE
C22H33N5O4 (431.25324180000007)
2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
C27H33N3O2 (431.25726380000003)
1-Butyl-5-[2-(1-butyl-3,3-dimethyl-1,3-dihydroindol-2-ylidene)ethylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
C27H33N3O2 (431.25726380000003)
Aglepristone
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist
1,5-Anhydro-2-C-(carboxymethyl-N-hydroxyamide)-2-deoxy-3-O-myristoyl-D-glucitol
C22H41NO7 (431.28828760000005)
4,4-Diaponeurosporenoate
C30H39O2- (431.29498939999996)
A monocarboxylic acid anion that is the conjugate base of 4,4-diaponeurosporenoic acid, obtained by deprotonation of the carboxy group. Major structure at pH 7.3.
(1S,4S,9S,12S,13R,16S)-6-(4-amino-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,16-diol
11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)
C27H43O4- (431.31611780000003)
A steroid acid anion that is the conjugate base of (25R)-3beta,4beta-dihydroxycholest-5-en-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
[1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinyl]-(4-morpholinyl)methanone
C23H37N5O3 (431.28962520000005)
(E,2S,3R,4R,5S)-2-Acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
1-(3-Carboxypropyl)-9-(dimethylamino)-2,2,4,11,11-pentamethyl-2,11-dihydronaphtho[2,3-g]quinolinium
(E)-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C25H41N3O3 (431.3147756000001)
(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C25H41N3O3 (431.3147756000001)
(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C25H41N3O3 (431.3147756000001)
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
[(1R)-1-(cyclopropylmethyl)-7-methoxy-9-methyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C27H33N3O2 (431.25726380000003)
3-Hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid
C22H41NO7 (431.28828760000005)
N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C25H41N3O3 (431.3147756000001)
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C24H37N3O4 (431.27839220000004)
[(1S)-1-(cyclopropylmethyl)-7-methoxy-9-methyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C27H33N3O2 (431.25726380000003)
(3R)-17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptadecanoate
(3R,16R)-16-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptadecanoate
(3Z,6Z,9Z,12Z,15Z)-N-(1,3-dihydroxynonan-2-yl)octadeca-3,6,9,12,15-pentaenamide
(6Z,9Z,12Z,15Z)-N-[(E)-1,3-dihydroxynon-4-en-2-yl]octadeca-6,9,12,15-tetraenamide
(4Z,7Z,10Z,13Z)-N-[(E)-1,3-dihydroxyundec-4-en-2-yl]hexadeca-4,7,10,13-tetraenamide
(4E,8E)-2-(decanoylamino)-3-hydroxydodeca-4,8-diene-1-sulfonic acid
C22H41NO5S (431.2705296000001)
4-(3-Butanoyloxy-2-octanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
C22H41NO7 (431.28828760000005)
4-[2,3-Di(hexanoyloxy)propoxy]-2-(trimethylazaniumyl)butanoate
C22H41NO7 (431.28828760000005)
4-(2-Heptanoyloxy-3-pentanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
C22H41NO7 (431.28828760000005)
4-(2-Nonanoyloxy-3-propanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
C22H41NO7 (431.28828760000005)
4-(3-Acetyloxy-2-decanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
C22H41NO7 (431.28828760000005)
2-(3-Trimethylsilyloxybutoxy)-N-(2-(diethylamino)ethyl)-4-quinolinecarboxamide
ATTO 635-2(1+)
The cationic form of a fluorescent dye derived from a tetrahydronaphtho[2,3-g]quinoline.
(2z)-n-[(2s,3e,5e,7e,10s)-10-[(2r,3s,5r)-3,5-dimethyl-6-oxooxan-2-yl]-4,6-dimethylundeca-3,5,7-trien-2-yl]-2-methoxypent-2-enimidic acid
C26H41NO4 (431.30354260000007)
5,6,16-trihydroxy-7,9,12,13-tetramethyl-14-(2-methylpropyl)-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[2,3-d]isoindol-2-one
C25H37NO5 (431.26715920000004)
(5s,7s,10as,13s,13as,14s,16as)-5,16-dihydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C25H37NO5 (431.26715920000004)
(1r,2s,6s,9s,10s,11s,14r,15s,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
16'-amino-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-ol
2-[(2e,5e,7e)-10-(2,3-dimethyloxiran-2-yl)-10-hydroxy-3,7,9-trimethyldeca-2,5,7-trien-1-yl]-5,6-dimethoxy-3-methylpyridin-4-ol
C25H37NO5 (431.26715920000004)
n-[(6s,8r,11r,12s,16s)-7,7,12,16-tetramethyl-15-oxotetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),3-dien-6-yl]benzenecarboximidic acid
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3',16-diol
(1s,2r,6r,9s,11s,14r,15r,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-14,17,20-triol
(1s,2r,6s,9s,10r,11s,14s,15r,17r,18r,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-14,17,20-triol
(2r,6r,10r,15r,17r,23r)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-14,17,20-triol
n-({[4-amino-3-({3-amino-6-[(ethylamino)methyl]oxan-2-yl}oxy)-2-hydroxy-6-methoxycyclohexyl](methyl)carbamoyl}methyl)carboximidic acid
15alpha-hydroxysoladulcidine
{"Ingredient_id": "HBIN001617","Ingredient_name": "15alpha-hydroxysoladulcidine","Alias": "15\u03b1-hydroxysoladulcidine","Ingredient_formula": "C27H45NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "431.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31270;10710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102093830","DrugBank_id": "NA"}
15alpha-hydroxytomatidine
{"Ingredient_id": "HBIN001620","Ingredient_name": "15alpha-hydroxytomatidine","Alias": "15\u03b1-hydroxytomatidine","Ingredient_formula": "C27H45NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "431.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31280;10771","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102093832","DrugBank_id": "NA"}
15β-hydroxysoladulcidine
{"Ingredient_id": "HBIN001638","Ingredient_name": "15\u03b2-hydroxysoladulcidine","Alias": "NA","Ingredient_formula": "C27H45NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(chloromethyl)-7-methyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one
{"Ingredient_id": "HBIN005458","Ingredient_name": "2-(chloromethyl)-7-methyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one","Alias": "NSC677189; AIDS147511; NCI60_027527; 2-(Chloromethyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one; AIDS-147511; ZINC00332821","Ingredient_formula": "C27H45NO3","Ingredient_Smile": "CC1=CC(=O)N2C(=N1)SC(=N2)CCl","Ingredient_weight": "431.65","OB_score": "24.60990856","CAS_id": "147511-59-9","SymMap_id": "SMIT10705","TCMID_id": "NA","TCMSP_id": "MOL009595","TCM_ID_id": "NA","PubChem_id": "385795","DrugBank_id": "NA"}
3,5,6-solanidanetriol
{"Ingredient_id": "HBIN007556","Ingredient_name": "3,5,6-solanidanetriol","Alias": "NA","Ingredient_formula": "C27H45NO3","Ingredient_Smile": "NA","Ingredient_weight": "431.65","OB_score": "NA","CAS_id": "119766-93-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8266","PubChem_id": "NA","DrugBank_id": "NA"}
baimonidine
{"Ingredient_id": "HBIN017522","Ingredient_name": "baimonidine","Alias": "NA","Ingredient_formula": "C27H45NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14435","TCMID_id": "2110","TCMSP_id": "NA","TCM_ID_id": "6436","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,5s,7s,10s,11s,14s,15r,16s,17r,20s,22s,24s)-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol
(2z)-n-[(2s,3e,5z,7e,10r)-10-[(2s,3r,5s)-3,5-dimethyl-6-oxooxan-2-yl]-4,6-dimethylundeca-3,5,7-trien-2-yl]-2-methoxypent-2-enimidic acid
C26H41NO4 (431.30354260000007)
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-15,16-diol
6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-14,17,20-triol
16-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)hexadecanimidic acid
(1s,2r,5s,7s,10s,11s,14s,15r,16s,17r,20s,22r,24s)-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol
ethyl 7''-ethyl-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate
C24H37N3O4 (431.27839220000004)
(1s,2r,5s,7s,10s,11s,14s,15r,16s,17s,20s,22r,24s)-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol
(1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,15r,16r,18s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-15,16-diol
(5r,6s,7s,10as,13s,13as,14s,16ar)-5,6,16-trihydroxy-7,9,12,13-tetramethyl-14-(2-methylpropyl)-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C25H37NO5 (431.26715920000004)
(1r,9s,10s,11s,14s,18s,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
(1'r,2r,2's,4'r,5s,7's,8'r,9's,12's,13'r,16'r,18's,19's)-16'-amino-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-ol
1-[(8z,11z)-heptadeca-8,11-dien-1-yl]-2-methyl-9h-carbazol-3-ol
ethyl (1'r,5's,6r,11's,12'r)-6-ethyl-6-methoxy-3'-methyl-9'-oxo-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
C25H37NO5 (431.26715920000004)
(1s,2r,5s,7s,10s,11s,14s,15r,16s,17r,20r,22s,24r)-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol
ethyl (1'r,2s,4's,5'r,6s,7''r,10'r)-7''-ethyl-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate
C24H37N3O4 (431.27839220000004)
(2s,3r,4r,5s,6e,14r)-3,4,5,14-tetrahydroxy-2-[(1-hydroxyethylidene)amino]icos-6-enoic acid
C22H41NO7 (431.28828760000005)
(6e)-5-(acetyloxy)-2-amino-3,4,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
ethyl (1'r,5's,6r,11'r,12'r)-6-ethyl-6-methoxy-3'-methyl-9'-oxo-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
C25H37NO5 (431.26715920000004)
methyl (1'r,5's,6r,11'r,12'r)-6-ethoxy-6-ethyl-3'-methyl-9'-oxo-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
C25H37NO5 (431.26715920000004)
5,16-dihydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[2,3-d]isoindol-2-one
C25H37NO5 (431.26715920000004)
(1r,2s,6s,9s,10r,11s,12s,14s,15s,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-12,17,20-triol
(1r,2s,3r,4r,5's,6s,7s,8r,9s,12s,13s,16s,18s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3,16-diol
7-methoxy-n-(3-{3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}but-3-en-1-yl)tetradec-4-enimidic acid
C26H41NO4 (431.30354260000007)
(1s,2s,4r,5r,7s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosane-4,5,7-triol
1-(heptadeca-8,11-dien-1-yl)-2-methyl-9h-carbazol-3-ol
6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-12,17,20-triol
(5r,6s,7s,10as,13s,13as,14s,16as)-5,6,16-trihydroxy-7,9,12,13-tetramethyl-14-(2-methylpropyl)-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C25H37NO5 (431.26715920000004)
(1s,2r,6r,9s,10r,11s,14r,15r,17r,18s,20r,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-14,17,20-triol
(6e)-4-(acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
(1s,2r,6r,9s,10r,11s,14r,15r,17s,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-14,17,20-triol
(1r,2r,3ar,3br,7s,9ar,9bs,11s,11as)-9a,11a-dimethyl-1-[(1s)-1-[(2r,5s)-5-methylpiperidin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7,11-triol
2-carbamimidamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
C21H41N3O6 (431.29952060000005)
(1r,2s,6s,9s,10s,11s,14s,15s,17s,18s,20r,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
(1r,2s,4s,7s,8r,9s,12s,13s,16s)-16-amino-7-hydroxy-9,13-dimethyl-7-(4-methylpentyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one
(2s,3s,4r,5r,6e,14r)-4-(acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
(1r,2s,3'r,4s,5'r,6s,7s,8r,9s,12s,13s,16s,18s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3',16-diol
(6e)-2-carbamimidamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
C21H41N3O6 (431.29952060000005)
(3s,3ar,4s,6as,15ar)-1,11-dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-3h,3ah,4h,6ah,9h,10h,11h,13h,14h-cycloundeca[d]isoindole-12,15-dione
C25H37NO5 (431.26715920000004)
n-[10-(3,5-dimethyl-6-oxooxan-2-yl)-4,6-dimethylundeca-3,5,7-trien-2-yl]-2-methoxypent-2-enimidic acid
C26H41NO4 (431.30354260000007)
1-{22-hydroxy-12,12,17-trimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-8-yl}-3-methylbut-2-en-1-one
C27H33N3O2 (431.25726380000003)
5-(acetyloxy)-2-amino-3,4,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
(1s,2r,3r,4r,5r,6s,8s,9r,10r,13r,16s,17r,18s)-11-ethyl-16-hydroxy-4,6-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-18-yl acetate
C25H37NO5 (431.26715920000004)
4-(acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
C22H41NO7 (431.28828760000005)
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3,16-diol
(1s,2r,6r,9s,10s,11r,14s,15s,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
(1r,2s,10r,11s,12s,14s,15s,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-12,17,20-triol
1,11-dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-3h,3ah,4h,6ah,9h,10h,11h,13h,14h-cycloundeca[d]isoindole-12,15-dione
C25H37NO5 (431.26715920000004)
(1r,2s,6r,9s,10s,11s,14r,15s,17s,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
(3s,11'r)-2,4',5,5,7',7',11',13',13',16'-decamethyl-8',14'-diazaspiro[pyrrole-3,5'-tetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadecane]-1'(16'),2'(6'),3',8',14'-pentaene-4,12'-dione
C27H33N3O2 (431.25726380000003)
(4e,7s)-7-methoxy-n-{3-[(1r,6r)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-en-1-yl}tetradec-4-enimidic acid
C26H41NO4 (431.30354260000007)
1-[(1s,13s,15s,17r)-22-hydroxy-12,12,17-trimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-8-yl]-3-methylbut-2-en-1-one
C27H33N3O2 (431.25726380000003)
(1r,2s,6s,10s,14s,15s,17s,18r,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
(1r,2s,6s,9r,10s,11s,14s,15s,17s,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-10,17,20-triol
n-{7,7,12,16-tetramethyl-15-oxotetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),3-dien-6-yl}benzenecarboximidic acid
n-({[(1s,2r,3r,4s,6s)-4-amino-3-{[(2r,3r,6s)-3-amino-6-[(ethylamino)methyl]oxan-2-yl]oxy}-2-hydroxy-6-methoxycyclohexyl](methyl)carbamoyl}methyl)carboximidic acid
(6e)-3,4,5,14-tetrahydroxy-2-[(1-hydroxyethylidene)amino]icos-6-enoic acid
C22H41NO7 (431.28828760000005)
9a,11a-dimethyl-1-[1-(5-methylpiperidin-2-yl)ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7,11-triol
(5s,7s,10as,13s,13as,14s,16ar)-5,16-dihydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C25H37NO5 (431.26715920000004)
(2s,3r,4r,5s,6e)-3,4,5,14-tetrahydroxy-2-[(1-hydroxyethylidene)amino]icos-6-enoic acid
C22H41NO7 (431.28828760000005)
10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosane-4,5,7-triol
methyl (1'r,5's,6r,11's,12'r)-6-ethoxy-6-ethyl-3'-methyl-9'-oxo-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
C25H37NO5 (431.26715920000004)