Exact Mass: 262.1504
Exact Mass Matches: 262.1504
Found 500 metabolites which its exact mass value is equals to given mass value 262.1504,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
streptidine
An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups.
Etoglucid
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AG - Epoxides C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Alnustone
Alnustone belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. Alnustone is found in herbs and spices. Alnustone is a constituent of Curcuma xanthorrhiza (Java turmeric). Alnustone is a diarylheptanoid. Alnustone is a natural product found in Alnus pendula, Alpinia hainanensis, and other organisms with data available. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2]. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2].
Isoleucyl-Methionine
Isoleucyl-Methionine is a dipeptide composed of isoleucine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionyl-Isoleucine
Methionyl-Isoleucine is a dipeptide composed of methionine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Methionine
Leucyl-Methionine is a dipeptide composed of leucine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionyl-Leucine
Methionyl-Leucine is a dipeptide composed of methionine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Phaseolic acid
Phaseolic acid is found in pulses. Phaseolic acid is isolated from dry bean seeds (Phaseolus sp. Isolated from dry bean seeds (Phaseolus species). Phaseolic acid is found in pulses.
4-Amino-3-hydroxybutanoylcarnitine
4-Amino-3-hydroxybutanoylcarnitine is an acylcarnitine. More specifically, it is an 4-amino-3-hydroxybutanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Amino-3-hydroxybutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-Amino-3-hydroxybutanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Cibenzoline
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Homosalate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics
Mepindolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
1ST169198
Matridin-15-one, 13,14-didehydro-, 1-oxide is a natural product found in Sophora viciifolia, Sophora alopecuroides, and other organisms with data available. Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2]. Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2].
(E)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Oxysophocarpine
Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2]. Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2].
(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
3-{[2-(carboxymethoxy)ethoxy]methyl}heptanoic acid
2,2,7-Trimethyl-3-hydroxy-4-isopropyl-6-methoxyindan-1-one
1-Isopropyl-6-methoxy-7-methyl-1,2,3,4-tetrahydro-1,4-(epoxymethano)naphthalene-5-ol
2-Hydroxy-5-(1,1,3,3-tetramethyl-butyl)-isophthalaldehyd|2-hydroxy-5-(1,1,3,3-tetramethyl-butyl)-isophthalaldehyde
(+)-(1R)-(2Z,4E)-4-Oxo-alpha-ionylideneacetic acid methyl ester|(+-)-Abscisin-methylester|(+/-)-1-deoxyabscisic acid methyl ester|4-Keto-2-cis-alpha-ionylidenessigsaeuremethylester|Abscissinsaeure-methylester|methyl 3-methyl-5-(4-oxo-2,6,6-trimethyl-2-cyclohexen-1-yl)-2(Z),4(E)-pentadienoate|methyl 3-methyl-5-(4-oxo-2,6,6-trimethylcyclohex-2-en-1(S)-yl)-2(Z),4(E)-pentadienoate
(1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenyl-2-propenyl]-1,4-cyclohexanediol|(1S,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenyl-2-propenyl]-1,4-cyclohexanediol
(+)-O-methylfurodysinin lactone|O-methylfurodysinin lactone
[(1(10)E,2R,4R)]-2-Methoxy-8,12-epoxygemacra-1(10),7,11-trien-6-one
3beta,4beta-Dimethyl-7beta-(1-carbomethoxy-aethyl)-9,10-dehydro-decal-8-on
Methyl 12-oxo-8??-hydroxyabiet-13-en-19-oate|Methyl 8-oxo-??-humula-6E,9E-dien-12-oate|Methyl 8-oxo-??-humula-6E,9Z-dien-12-oate
2-(1,5-Dimethyl-4-hexenyl)-3-methoxy-5-methyl-1,4-benzoquinone
(7E,9Z,12Z)-6-ketohexadeca-7,9,12,15-tetraenoic acid
5-Hydroxy-2-methyoxy-15-calamenen-15-al|5-hydroxy-8-methoxy-calamenene-6-al
1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol
1-hydroxyherbertene-12-oic acid methyl ester|mastigophoric acid methyl ester|methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate
4beta-Methoxydehydrocostus lactone|4??-Methoxycostuslactone
(2R,3R)-2-heptyl-3,4-dihydroxyindan-1-one|paecilocin D
4beta-hydroxy-5beta,8beta(H)-guaia-1(10)Z,7(11)Z-dien-12,8-olide|chlospicate C
10alpha-hydroxy-1alpha,5alpha,8beta(H)-guaia-4(15),7(11)Z-dien-12,8-olide|chlospicate D
(4aR,5S,9aR)-4a,5,6,7,9,9a-hexahydro-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|8alpha-methoxyeremophila-1(10),7(11)-dien-12,8beta-olide
2-Oxo-3beta-(1-methoxycarbonylethyl)-5-methylen-8abeta-methyl-1.2.3.4.4aalpha.5.6.8a-octahydro-naphthalin
(+)-methyl 3-oxo-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-12-oate|(+)-methyl pechueloate|methyl pechueloate|Pechueloic acid methylester
2-(1Z)-(3-hydroxy-3,7-dimethylocta-1,6-dienyl)-1,4-benzenediol|2-(2Z)-(3-hydroxy-3,7-dimethyloct-2,6-dienyl)-1,4-benzenediol
11-Oxo-tetrahydro-rhombifolin|3-but-3-enyl-octahydro-1,5-methano-pyrido[1,2-a][1,5]diazocine-4,6-dione
6-(1-Ethoxyethyl)-7-methoxy-2,2-dimethyl-2H-1-benzopyran
(E)-2-Hexenyl Beta-D-Glucopyranoside|(E)-2-hexenyl beta-D-glucoside|(E)-2-hexenyl-beta-D-glucopyranoside|(E)-2-Hexenyl-??-D-glucopyranoside|erigeside B
2,2,7,7-Tetramethyl-2,3,4,7,8,9-hexahydrobenzo[1,2-b:4,5-b]dipyran-5-ol
2alpha-hydroxy-5alphaH-eudesma-4(15),11(13)-dien-12,8beta-olide
1-allyl-3,5-dimethoxy-4-(3-methyl-but-2-enyloxy)benzene
5-methyl-5-<2-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)vinyl>-2-tetrahydrofuranone|5-methyl-5-[2-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)vinyl]-2-tetrahydrofuranone
(1(10)E,2R*,4R*)-2-Methoxy-8,12-epoxygermacra-1(10),7,11-trien-6-one
C12H22O6_beta-D-Glucopyranoside, (3Z)-3-hexen-1-yl
(2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1COOH-2But-A7EO1-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Homosalate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics
Ile-met
A dipeptide formed from L-isoleucine and L-methionine residues.
Leu-met
A dipeptide formed from L-leucine and L-methionine residues.
Met-ile
A dipeptide formed from L-methionine and L-isoleucine residues.
Met-Leu
A dipeptide formed from L-methionine and L-leucine residues.
Alnusone
Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2]. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2].
ascr#12
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (5R)-5-hydroxyhexanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematodes Caenorhabditis elegans and Pristionchus pacificus.
oscr#12
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 6-hydroxyhexanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
3-(2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL)-3-PHENYL-PROPIONIC ACID
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
3-[4-(2-ETHOXYCARBONYL-ETHOXY)-BUTOXY]-PROPIONICACID
tert-butyl 3-(2-aminophenyl)pyrrolidine-1-carboxylate
4-Boc-9-Methyl-2,3,4,5-tetrahydro-1hbenzo[e][1,4]diazepine
4-Boc-7-Methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
2-(N-Methylaminocarbonyl)-5-pyridineboronic acid pincol ester
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
3-(Carboxymethyl)phenylboronic acid, pinacol ester
ETHYL 1-(2-(AMINOMETHYL)PHENYL)PIPERIDINE-4-CARBOXYLATE
TERT-BUTYL 3-(PHENYLAMINO)PYRROLIDINE-1-CARBOXYLATE
Carbamic acid, N-(4-phenyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
4-(4-hydroxy-piperidine-1-ylmethyl)-benzimidic acid ethyl ester
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)ACETAMIDE
1-PIPERAZINECARBOXYLIC ACID, 4-(3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
3-(4-BENZYL-PIPERAZIN-1-YL)-PROPIONIC ACID METHYL ESTER
{1H-Pyrido[4,3-b]indole,} 2,3,4,5-tetrahydro-2-(phenylmethyl)-
3-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZIMIDIC ACID ETHYL ESTER
trans-(4-Amino-1-benzylpyrrolidin-3-yl)-acetic acid ethyl ester
tert-Butyl(3S,4R)-4-phenylpyrrolidin-3-ylcarbamate
(R)-TERT-BUTYL (1-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)ETHYL)CARBAMATE
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
tert-Butyl 3-(4-aminophenyl)pyrrolidine-1-carboxylate
(S)-TERT-BUTYL (1-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)ETHYL)CARBAMATE
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
1H-Pyrrolo[2,3-b]pyridine-5-methanol, 1-[(1,1-dimethylethyl)dimethylsilyl]-
3-(2-Pyridinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
4-(4-Pyridinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
TERT-BUTYL 2,7-DIAZASPIRO[4.4]NONANE-2-CARBOXYLATE HYDROCHLORIDE
1-(DIPHENYLMETHYL)-3-METHYL-3-AZETIDINECARBONITRILE
2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)azanium
1-(2,3-DIHYDRO-1H-INDEN-2-YL)HYDRAZINEHYDROCHLORIDE
2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETIC ACID
2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
4-(3-butyl-2H-imidazol-1-yl)butane-1-sulfonic acid
1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
2-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZIMIDIC ACID ETHYL ESTER
6-Aminomethyl-3,4-dihydro-1H-isoquinoline-2-carboxylicacid tert-butyl ester
TERT-BUTYL 8-AZABICYCLO[3.2.1]OCTAN-3-YLCARBAMATE HYDROCHLORIDE
3,4,5,6-tetrahydro-2H-[2,4-bipyridine]-1-carboxylic acid tert-butyl ester
5-AMINO-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPINE-1-CARBOXYLICACIDTERT-BUTYLESTER
Mixidine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
7-aminomethyl-2-Boc-1,2,3,4-tetrahydroisoquinoline
tert-butyl 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
4-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
3-Amino-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester hydrochloride
N-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide
(1,1-DIOXO-2,3-DIHYDRO-1H-1LAMBDA6-THIOPHEN-3-YLAMINO)-ACETICACID
4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)acetamide
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
Benzyl 4-((methylamino)methyl)piperidine-1-carboxylate
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride
Fencibutirol
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
(5R)-5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexanoic acid
6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexanoic acid
[(2R)-3-carboxy-2-[(3-hydroxypentanoyl)oxy]propyl]trimethylazanium
Mepindolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Cibenzoline
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
[3-Carboxy-2-(3-hydroxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
(1R,9S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
[3-Carboxy-2-(3-hydroxy-2-methylbutanoyl)oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-(3-hydroxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-hydroxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-hydroxypentanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
[(2S)-3-carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
[(2R)-3-carboxy-2-[(2R)-2-hydroxy-3-methylbutanoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-hydroxypentanoyloxy)propyl]-trimethylazanium
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
2-(3,7-Dimethylocta-2,6-dienyl)benzene-1,3,5-triol
[2-(Carboxymethyl)-1,2-dihydroxy-5-methyl-3-oxohexyl]-trimethylazanium
[(2R)-3-carboxy-2-(2-hydroxypentanoyloxy)propyl]-trimethylazanium
2-methoxy-3,5-dimethyl-6-[(2e,4e)-4-methylhepta-2,4-dien-2-yl]pyran-4-one
(4ar,8as,9as)-9a-methoxy-4,4,7-trimethyl-4ah,5h,6h,8ah,9h-naphtho[2,3-b]furan-2-one
methyl 2-[(1r,4ar,6s,8ar)-6-hydroxy-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]prop-2-enoate
methyl 2-[(2r,5s,10s)-6,10-dimethyl-8-oxospiro[4.5]dec-6-en-2-yl]prop-2-enoate
12-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-13-en-7-ium-7-olate
(1r,2r,9s)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecane-8,10-dione
methyl 4-hydroxy-3-(1,2,2-trimethylcyclopentyl)benzoate
2-methoxy-3,5-dimethyl-6-[(2e,4z)-4-methylhepta-2,4-dien-2-yl]pyran-4-one
9-hydroxy-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one
(1r,3s,5r,7r,8e,11r)-5,7,9-trimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one
(3s,3ar,4r,6ar,8s,9ar,9br)-3-methyl-2,6,9-trimethylidene-octahydro-3h-azuleno[4,5-b]furan-4,8-diol
methyl (5s,8s)-5-hydroxy-8-isopropyl-5-methyl-7,8-dihydro-6h-naphthalene-2-carboxylate
(1r,3r,7e)-3,7-dimethyl-14,16-dioxatricyclo[8.6.0.0¹¹,¹⁵]hexadeca-7,11(15)-dien-6-one
(2r,3r,4s,5s,6r)-2-(hex-3-en-1-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
15-hydroxy-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one
(5s,8r)-1-hydroxy-8-isopropyl-4-methoxy-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
methyl 2-(8-formyl-4a-methyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl)prop-2-enoate
(4s)-4,5-dimethoxy-4-(3-methylbut-2-en-1-yl)-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one
(4r,9r,17r)-4-hydroxy-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one
(3as,6s,6as,9bs)-6-hydroxy-6,6a,9-trimethyl-3-methylidene-3ah,4h,5h,7h,8h,9bh-azuleno[4,5-b]furan-2-one
(1r,3s,4s,5r,7r)-3,5-dimethyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0³,⁵]decan-9-one
12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-4-one
(1s,2r,9r)-2-methoxy-9,10,11-trimethyl-3-oxatricyclo[7.3.1.0²,⁶]trideca-5,10-dien-4-one
(8as,10ar)-5,5-dimethyl-6,7,8,9,10,10a-hexahydroanthracene-1,4,8a-triol
7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),8,10-trien-3-ol
(3ar,6s,7as,8s,9ar)-6-methoxy-5,8-dimethyl-3-methylidene-3ah,4h,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2-one
(3r,4s,7s)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),8,10-trien-3-ol
methyl (1e,5z,8z)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylate
(3ar,6r,7as,8s,9ar)-6-methoxy-5,8-dimethyl-3-methylidene-3ah,4h,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2-one
methyl 2-{6,10-dimethyl-8-oxospiro[4.5]dec-6-en-2-yl}prop-2-enoate
(9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-13-ium-13-olate
2-methoxy-3,5-dimethyl-6-[(2e)-4-methylhepta-2,4-dien-2-yl]pyran-4-one
(3s,3as,6ar,9ar,9bs)-3-(methoxymethyl)-6,9-dimethylidene-octahydro-3h-azuleno[4,5-b]furan-2-one
methyl 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)prop-2-enoate
(1s,6s,9r,10s)-6-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one
8-methoxy-3,6,10-trimethyl-5h,6h,7h,8h,11h-cyclodeca[b]furan-4-one
2-(3-methylbut-2-en-1-yl)-6-(3-methylbut-3-en-1-yn-1-yl)cyclohex-5-ene-1,2,4-triol
12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one
(6r,8r)-8-methoxy-3,6,10-trimethyl-5h,6h,7h,8h,11h-cyclodeca[b]furan-4-one
methyl 2-[(2z,8s,8ar)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydro-1h-naphthalen-2-ylidene]propanoate
5-hydroxy-1-(3-methylbut-2-en-1-yl)-3-(3-methylbut-2-en-1-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one
(1(10)E,2R,4R)-2-methoxy-8,12-epoxygermacra-1(10),7,11-trien-6-one(6),myrrhone
{"Ingredient_id": "HBIN000230","Ingredient_name": "(1(10)E,2R,4R)-2-methoxy-8,12-epoxygermacra-1(10),7,11-trien-6-one(6),myrrhone","Alias": "NA","Ingredient_formula": "C16H22O3","Ingredient_Smile": "CC1CC(C=C(CC2=C(C(=CO2)C)C(=O)C1)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42295","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1(10)E, 2R, 4R)-8,12- epoxy Zimmer-1,7,10,11- four-6-one
{"Ingredient_id": "HBIN000232","Ingredient_name": "1(10)E, 2R, 4R)-8,12- epoxy Zimmer-1,7,10,11- four-6-one","Alias": "NA","Ingredient_formula": "C16H22O3","Ingredient_Smile": "CC1CC(C=C(CC2=C(C(=CO2)C)C(=O)C1)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42315","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-12β-hydroxylsophocarpine
{"Ingredient_id": "HBIN000758","Ingredient_name": "(?)-12\u03b2-hydroxylsophocarpine","Alias": "NA","Ingredient_formula": "C15H22N2O2","Ingredient_Smile": "C1CC2CN3C(C4C2N(C1)CCC4)C(C=CC3=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10336","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-methoxydihydrocostus lactone
{"Ingredient_id": "HBIN000898","Ingredient_name": "12-methoxydihydrocostus lactone","Alias": "NA","Ingredient_formula": "C16H22O3","Ingredient_Smile": "COCC1C2CCC(=C)C3CCC(=C)C3C2OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31536","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
17-oxo-lupanine
{"Ingredient_id": "HBIN002066","Ingredient_name": "17-oxo-lupanine","Alias": "NA","Ingredient_formula": "C15H22N2O2","Ingredient_Smile": "C1CCN2C(C1)C3CC(C2=O)C4CCCC(=O)N4C3","Ingredient_weight": "262.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "16243","PubChem_id": "14139904","DrugBank_id": "NA"}
4b-methoxydehydrocostus lactone
{"Ingredient_id": "HBIN010274","Ingredient_name": "4b-methoxydehydrocostus lactone","Alias": "NA","Ingredient_formula": "C16H22O3","Ingredient_Smile": "CC1(CCC2C1C3C(CCC2=C)C(=C)C(=O)O3)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31534","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-9α-hydroxylsophocarpine
{"Ingredient_id": "HBIN014052","Ingredient_name": "(?)-9\u03b1-hydroxylsophocarpine","Alias": "NA","Ingredient_formula": "C15H22N2O2","Ingredient_Smile": "C1CC2CN3C(CC=CC3=O)C4C2N(C1)CC(C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10335","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(- )-9α-hydroxysophocarpine
{"Ingredient_id": "HBIN014054","Ingredient_name": "(- )-9\u03b1-hydroxysophocarpine","Alias": "NA","Ingredient_formula": "C15H22N2O2","Ingredient_Smile": "C1CC2CN3C(CC=CC3=O)C4C2N(C1)CC(C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37020","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acrifolinol
{"Ingredient_id": "HBIN014608","Ingredient_name": "acrifolinol","Alias": "NA","Ingredient_formula": "C16H22O3","Ingredient_Smile": "CC12CCC3C(CC(=O)C3=C)C4C(O4)(CCC1O2)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "568","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acutifolone a
{"Ingredient_id": "HBIN014660","Ingredient_name": "acutifolone a","Alias": "NA","Ingredient_formula": "C16H22O3","Ingredient_Smile": "CC1CCC2(C1(C(=O)C=C(C2C)C=C)C(=O)OC)C","Ingredient_weight": "262.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "600","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10539422","DrugBank_id": "NA"}
