Exact Mass: 262.15264498
Exact Mass Matches: 262.15264498
Found 500 metabolites which its exact mass value is equals to given mass value 262.15264498,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
streptidine
C8H18N6O4 (262.13894680000004)
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
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
Streptidine
C8H18N6O4 (262.13894680000004)
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
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
Phenylacetic acid-4-boronic acid pinacol ester
C14H19BO4 (262.13763240000003)
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
3-(Carboxymethyl)phenylboronic acid, pinacol ester
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
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
1,4-Benzodioxane-6-boronic acid, pinacol ester
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
3-Methoxycarbonylphenylboronic acid pinacol ester
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
4-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C14H19BO4 (262.13763240000003)
2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
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
C14H19BO4 (262.13763240000003)
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
C12H24NO5+ (262.16543939999997)
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
C12H24NO5+ (262.16543939999997)
(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
C12H24NO5+ (262.16543939999997)
[(2R)-3-carboxy-2-(3-hydroxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[3-Carboxy-2-hydroxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[3-Carboxy-2-(5-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[3-Carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2S)-3-carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2R)-3-carboxy-2-[(2R)-2-hydroxy-3-methylbutanoyl]oxypropyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[3-Carboxy-2-(4-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
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
C12H24NO5+ (262.16543939999997)
[(2R)-3-carboxy-2-(2-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
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"}
3-methoxy-5-methyl-2-[(2r)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
6-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one
1-(hydroxymethyl)-7-isopropyl-3-methoxy-4a-methyl-5,6-dihydronaphthalen-2-one
(4r,4ar,5r)-4-methoxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-5-ol
(2r,3r,4s,5s,6r)-2-[(3z)-hex-3-en-1-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(6s,8s)-8-methoxy-3,6,10-trimethyl-5h,6h,7h,8h,11h-cyclodeca[b]furan-4-one
methyl 4-hydroxy-3-[(1s)-1,2,2-trimethylcyclopentyl]benzoate
9a-methoxy-3,5,8-trimethyl-4h,6h,7h,7ah,8h,9h-azuleno[6,5-b]furan-2-one
4-methoxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-5-ol
8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-peroxol
4a,8,10b-trimethyl-2h,3h,6ah,7h,8h,9h,10ah-naphtho[2,1-b]pyran-1,10-dione
n-{5-[(1-hydroxyethylidene)amino]pentyl}-2-phenylethanimidic acid
(1r,2s,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecane-6,16-dione
(1s,9s)-4-oxo-12-(prop-2-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecane-11-carbaldehyde
2-methoxy-3,5-dimethyl-6-[(2z)-4-methylhepta-2,4-dien-2-yl]pyran-4-one
methyl (2z,4e)-3-methyl-5-[(1s)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]penta-2,4-dienoate
(2e)-n-[(5s,7as)-5,7a-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]-4-methylpent-2-enamide
2-[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]benzene-1,4-diol
3-hydroxy-4-isopropyl-6-methoxy-2,2,7-trimethyl-3h-inden-1-one
(1r,2r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecane-6,16-dione
methyl (2r)-2-[(1ar,1bs,4r,5ar,6as)-1b-methyl-6-methylidene-3-oxo-hexahydro-1h-cyclopropa[a]inden-4-yl]propanoate
2-(hex-2-en-1-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,2s,5r,8r,9s)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.0¹,⁵]undec-3-ene-3-carboxylate
2-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)benzene-1,4-diol
(1s,2s,4r,7z,10r,11s)-4,8,10-trimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-13-one
(7e,9z,12z)-6-oxohexadeca-7,9,12,15-tetraenoic acid
2-(3-hydroxy-3-methylbut-1-en-1-yl)-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol
methyl 5-hydroxy-8-isopropyl-5-methyl-7,8-dihydro-6h-naphthalene-2-carboxylate
(4ar,8as,9ar)-9a-methoxy-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
(4ar,8ar,9ar)-9a-methoxy-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
2-[(1z,3s)-3-hydroxy-3,7-dimethylocta-1,6-dien-1-yl]benzene-1,4-diol
(1r,9r,10s)-6-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one
9a-methoxy-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
n-[(1r,2s,3s,4r,5r,6s)-3-carbamimidamido-2,4,5,6-tetrahydroxycyclohexyl]guanidine
C8H18N6O4 (262.13894680000004)
methyl 2,5,9-trimethyl-11-oxotricyclo[6.3.0.0¹,⁵]undec-3-ene-3-carboxylate
(1r,2r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecane-8,16-dione
methyl 2-(8-formyl-4a-methyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl)prop-2-enoate
methyl 5-[(2s,5e)-2,6-dimethylocta-5,7-dien-1-yl]furan-3-carboxylate
(1s,2s,3s,9s,17s)-3-hydroxy-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one
methyl (1r,2s,5r,8r,9s)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.0¹,⁵]undec-3-ene-3-carboxylate
6-[(1r)-1-ethoxyethyl]-7-methoxy-2,2-dimethylchromene
3-methyl-2,6,9-trimethylidene-octahydro-3h-azuleno[4,5-b]furan-4,8-diol
4-isopropyl-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
methyl 2-(7-hydroxy-4a-methyl-8-methylidene-1,2,3,4,7,8a-hexahydronaphthalen-2-yl)prop-2-enoate
7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecane-8,16-dione
methyl 2-[(2r,4ar,8ar)-8-formyl-4a-methyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl]prop-2-enoate
6-[1-(hydroxymethyl)-octahydro-1h-quinolizin-3-yl]pyridin-2-ol
1-[(1r,3r,6r,8s,9s)-8-methoxy-4-methyl-7-oxatricyclo[4.3.0.0³,⁹]non-4-en-9-yl]-4-methylpent-3-en-2-one
methyl 2-[(2r,4as,7s,8ar)-7-hydroxy-4a-methyl-8-methylidene-1,2,3,4,7,8a-hexahydronaphthalen-2-yl]prop-2-enoate
5,5,12,12-tetramethyl-4,11-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-2-ol
methyl 4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylate
methyl 2-[(2r,4as,8ar)-4a,8-dimethyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-2-yl]prop-2-enoate
(1r,9s,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one
(3ar,4as,8ar,9ar)-8a-methyl-2,3,5-trimethylidene-hexahydro-3ah-naphtho[2,3-b]furan-4a-peroxol
2-methoxy-3,5-dimethyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one
1-(3-methylbut-2-en-1-yl)-3-(3-methylbuta-1,3-dien-1-ylidene)-7-oxabicyclo[4.1.0]heptane-2,5-diol
n-[(1r,3s,4r,6s)-3-carbamimidamido-2,4,5,6-tetrahydroxycyclohexyl]guanidine
C8H18N6O4 (262.13894680000004)