Exact Mass: 359.1741314
Exact Mass Matches: 359.1741314
Found 500 metabolites which its exact mass value is equals to given mass value 359.1741314,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Etoxazole
C21H23F2NO2 (359.16967619999997)
CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10356; ORIGINAL_PRECURSOR_SCAN_NO 10354 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10360; ORIGINAL_PRECURSOR_SCAN_NO 10358 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10425; ORIGINAL_PRECURSOR_SCAN_NO 10424 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10345; ORIGINAL_PRECURSOR_SCAN_NO 10344 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10415; ORIGINAL_PRECURSOR_SCAN_NO 10413 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10391; ORIGINAL_PRECURSOR_SCAN_NO 10390 D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Capecitabine
Capecitabine is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to fluorouracil (antimetabolite) in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite CONFIDENCE standard compound; EAWAG_UCHEM_ID 2845 D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Capecitabine is an oral proagent that is converted to its active metabolite, 5-FU, by thymidine phosphorylase.
Grepafloxacin
C19H22FN3O3 (359.16451140000004)
Grepafloxacin hydrochloride (Raxar®, Glaxo Wellcome) is an oral broad-spectrum quinoline antibacterial agent used to treat bacterial infections. Grepafloxacin was withdrawn in the United States due to its side effect of lengthening the QT interval on the electrocardiogram, leading to cardiac events and sudden death. [Wikipedia] J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors ATC code: J01MA11
Enrofloxacin
C19H22FN3O3 (359.16451140000004)
Enrofloxacin is a veterinary antibacterial agent, used in poultry. Enrofloxacin is a fluoroquinolone antibiotic sold by the Bayer Corporation under the trade name Baytril(r). Enrofloxacin is currently FDA-approved for treatment of individual pets and domestic animals in the United States. In September 2005, the FDA withdrew approval of Baytril for use in water to treat flocks of poultry, as this practice was noted to promote the evolution of fluoroquinolone-resistant strains of the bacterium Campylobacter, a human pathogen. Fluoroquinolones such as ciprofloxacin are widely used in the treatment of human disease. Enrofloxacin is a synthetic chemotherapeutic agent from the class of the fluoroquinolone carboxylic acid derivatives. It has antibacterial activity against a broad spectrum of Gram-negative and Gram-positive bacteria. Its mechanism of action is not thoroughly understood, but it is believed to act by inhibiting bacterial DNA gyrase (a type-II topoisomerase), thereby preventing DNA supercoiling and DNA synthesis. It is a bactericidal agent. The bactericidal activity of enrofloxacin is concentration dependent, with susceptible bacteria cell death occurring within 20-30 minutes of exposure. Enrofloxacin has demonstrated a significant post-antibiotic effect for both Gram-negative and Gram-positive bacteria and is active in both stationary and growth phases of bacterial replication. http://www.fda.gov/cvm/Documents/baytrilDDL.pdf is a broken lin D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Norendoxifen
Norendoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
5-Hydroxydec-6-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-6-enedioic 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. 5-Hydroxydec-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
5-Hydroxydec-7-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-7-enedioic 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. 5-Hydroxydec-7-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-7-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
5-Hydroxydec-8-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-8-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-8-enedioic 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. 5-Hydroxydec-8-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-8-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
6-Hydroxydec-6-enedioylcarnitine
C17H29NO7 (359.19439239999997)
6-Hydroxydec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxydec-6-enedioic 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. 6-Hydroxydec-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Hydroxydec-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
5-Hydroxydec-5-enedioylcarnitine
C17H29NO7 (359.19439239999997)
5-Hydroxydec-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxydec-5-enedioic 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. 5-Hydroxydec-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydec-5-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
(2Z)-5-Hydroxydec-2-enedioylcarnitine
C17H29NO7 (359.19439239999997)
(2Z)-5-Hydroxydec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2Z)-5-hydroxydec-2-enedioic 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. (2Z)-5-Hydroxydec-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z)-5-Hydroxydec-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
6-Hydroxydec-7-enedioylcarnitine
C17H29NO7 (359.19439239999997)
6-Hydroxydec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxydec-7-enedioic 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. 6-Hydroxydec-7-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Hydroxydec-7-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
(1-(5-Fluoropentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
2-[(3,17-Dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]oxyacetic acid
Binfloxacin
C19H22FN3O3 (359.16451140000004)
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Chlorambucil-tertiary butyl ester
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
(S)-N-Benzyl-2-((S)-2-(2-hydroxyacetyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide
N-Methylrosmaricine
C21H29NO4 (359.20964740000005)
N-methylrosmaricine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N-methylrosmaricine can be found in rosemary, which makes N-methylrosmaricine a potential biomarker for the consumption of this food product.
Pro-Pro-Phe
6-Aethansulfinyl-3-methoxy-17-methyl-morphina-5,7-dien-4-ol|6-ethanesulfinyl-3-methoxy-17-methyl-morphina-5,7-dien-4-ol
C20H25NO3S (359.15550600000006)
2-Butyl-5-methoxy-7-phenyl-1H-benzo[de]isoquinoline-1,6(2H)-dione
C23H21NO3 (359.15213560000007)
(E)-methyl 4-(2-acetyl-4-oxonon-1-enyl)-6-propylnicotinate|Monasnicotinate D
C21H29NO4 (359.20964740000005)
4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
N-(3,4-Dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
Phosphoramidic acid, cyclooctyl-, diphenyl ester
C20H26NO3P (359.1650216000001)
trichosetin
C21H29NO4 (359.20964740000005)
A member of the class of octahydronaphthalenes that is (2R,4aS,5R,6R,8aS)-2,5-dimethyl-6-[(1E)-prop-1-en-1-yl]-1,2,3,4,4a,5,6,8a-octahydronaphthalene in which the hydrogen at position 5 has been replaced by a (Z)-hydroxy[(5S)-5-(hydroxymethyl)-2,4-dioxopyrrolidin-3-ylidene]methyl group. Produced by the dual culture of Trichoderma harzianum and Catharanthus roseus callus, it exhibits significant antimicrobial activity against Gram-positive bacteria such as Staphylococcus aureus and Bacillus subtilis.
Enrofloxacin
C19H22FN3O3 (359.16451140000004)
A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1029 CONFIDENCE standard compound; INTERNAL_ID 4096 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3667
Capecitabine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2353 INTERNAL_ID 2353; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2140 CONFIDENCE standard compound; INTERNAL_ID 8343 CONFIDENCE standard compound; INTERNAL_ID 4129 Capecitabine is an oral proagent that is converted to its active metabolite, 5-FU, by thymidine phosphorylase.
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
C18H21N3O5 (359.14811360000004)
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 16
Etoxazole
C21H23F2NO2 (359.16967619999997)
D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
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Enroxil
C19H22FN3O3 (359.16451140000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
2-BOC-5-(2-ISOPROPYLAMINO-THIAZOL-4-YL)-ISOINDOLINE
(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine,hydrochloride
C22H30ClNO (359.20158000000004)
5-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(4-methylphenyl)- (9CI)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(2-methylphenyl)- (9CI)
Urea, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-6-((TRIMETHYLSILYL)ETHYNYL)FURO[3,2-B]PYRIDINE
1-phenyl-N-[2-(9H-thioxanthen-9-yl)ethyl]propan-2-amine
(4-(N-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)SULFAMOYL)PHENYL)BORONIC ACID
Piperidolate hydrochloride
C21H26ClNO2 (359.16519660000006)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent Piperidolate hydrochloride is an antimuscarinic, inhibits intestinal cramp induced by acetylcholine (rats and dogs).
ETHYL 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-(PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
C19H22FN3O3 (359.16451140000004)
7-(3-Aminoazepan-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
C19H22FN3O3 (359.16451140000004)
1-BOC-4-[CARBOXY-(1H-INDOL-2-YL)-METHYL]-PIPERAZINE
[5-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
C18H26BN3O4 (359.20162660000005)
captodiame
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BB - Diphenylmethane derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
BENZENEACETAMIDE,N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3,4-DIMETHOXY-, ION(1-) (9CI)
3-(4-BOC-PIPERAZIN-1-YL-METHYL)-5-TRIFLUOROMETHYLANILINE
2,6-difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol
PIFZER CALCIUM-SENSING PARATHYROID HORMONE RECEPTORS ANTAGONISTS
2-[2-(2-ethoxypyridin-3-yl)oxyethoxy]-3-(2-methylpiperazin-1-yl)pyrazine
(3-BOC-AMINO-PIPERIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID
2-(7-Amino-1-isoquinolinyl)imidodicarbonic acid 1,3-bis(1,1-dimethylethyl) ester
2,4-Diphenyl-6-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-[1,3,5]triazine
4-[2-(1,3-DIHYDRO-1,3DIOXO-2H-ISOINDOL-YL)ETHYL]-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
4-((2S)PYRROLIDIN-2-YL)-1,2-BIS(PHENYLMETHOXY)BENZENE
1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, ethyl ester, (3R,4R)-
(4-BENZYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE
tert-Butyl 4-((3-(trifluoromethyl)phenoxy)methyl)piperidine-1-carboxylate
C18H24F3NO3 (359.17081900000005)
5-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine
5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is an impurity in the synthesis of Capecitabine (HY-B0016)[1].
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-2-phenylpyrimidin-1-yl]acetate
C18H21N3O5 (359.14811360000004)
(S)-(+)-5-OXOTETRAHYDROFURAN-2-CARBOXYLICACID
C23H21NO3 (359.15213560000007)
4-(4-BOC-PIPERAZIN-1-YL-METHYL)-2-TRIFLUOROMETHYLANILINE
Florbetaben F-18
C21H26FNO3 (359.18966180000007)
V - Various > V09 - Diagnostic radiopharmaceuticals > V09A - Central nervous system C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-4-Oxoquinazolin-3(4h)-Yl}methyl)benzonitrile
Estradiol-6-cmo
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Bufetolol hydrochloride
C18H30ClNO4 (359.18632500000007)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
2-(3,4-Dimethoxyphenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylethanamine
C21H29NO4 (359.20964740000005)
3-[(R)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol
C21H26FNO3 (359.18966180000007)
Isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate
C19H22ClN3O2 (359.14004620000003)
4-[4-(4-methoxyphenyl)piperazino]-5H-pyrimido[5,4-b]indole
3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol
C21H26FNO3 (359.18966180000007)
[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
N-[(2R)-2-{[(2S)-2-(1,3-Benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
[(3,7,11-Trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
Binfloxacin
C19H22FN3O3 (359.16451140000004)
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
3-(4-Methoxyphenyl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
(2Z)-5-Hydroxydec-2-enedioylcarnitine
C17H29NO7 (359.19439239999997)
3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium
C23H23N2O2+ (359.17594379999997)
D004396 - Coloring Agents > D002232 - Carbocyanines
Leu-Leu-Asp
C16H29N3O6 (359.20562540000003)
A tripeptide composed of two L-leucine units joined to L-aspartic acid by a peptide linkage.
Glu-Ile-Val
C16H29N3O6 (359.20562540000003)
A tripeptide composed of L-glutamic acid, L-isoleucine and L-valine joined in sequence by peptide linkages.
Phe-Pro-Pro
A tripeptide composed of L-phenylalanine and two L-proline units joined by peptide linkages.
N-cycloheptyl-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide
C17H21N5O2S (359.14158860000003)
5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol
1-[4-[4-(2-Methylpropoxy)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
5-[1-[(3,5-Dimethoxyphenyl)methylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
C18H21N3O5 (359.14811360000004)
1-(4-Chlorophenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]urea
C19H22ClN3O2 (359.14004620000003)
(3aS)-2-benzyl-10,10-dimethyl-4,9-dihydro-3aH-imidazo[1,5-b]-carboline-1,3-quinone
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]propanamide
C20H25NO3S (359.15550600000006)
1-[6-Amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-ethylurea
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
C17H21N5O4 (359.15934660000005)
5-[1-[3-(4-Ethylphenoxy)propylamino]ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanone
C19H22ClN3O2 (359.14004620000003)
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-4-thiadiazolecarboxamide
C17H21N5O2S (359.14158860000003)
1-ethyl-N-heptanoyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
(15R)-13-Benzyl-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine
C21H26ClNO2 (359.16519660000006)
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,9R,10R,11R)-12-acetyl-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(1R,9S,10S,11S)-12-acetyl-N-cyclopentyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanamide
12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxododecanoate
(11R)-11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxododecanoate
(3Z,5S)-3-[(2E,6R,8E,10E,12E)-1-hydroxy-2,6-dimethyltetradeca-2,8,10,12-tetraenylidene]-5-(hydroxymethyl)pyrrolidine-2,4-dione
C21H29NO4 (359.20964740000005)
2-Trimethylsilyloxy-N-(2-(diethylamino)ethyl)-4-quinolinecarboxamide
Grepafloxacin
C19H22FN3O3 (359.16451140000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors ATC code: J01MA11
[1-(5-Fluoropentyl)-1H-indol-3-yl](naphthalen-1-yl)methanone
AVN-492
C17H21N5O2S (359.14158860000003)
AVN-492 is a very specific and highly-selective antagonist with picomolar affinity to 5-HT6R (Ki=91 pM).
Lusaperidone
Lusaperidone (R107474) is an α2 adrenergic receptor antagonist with Kis of 0.13 and 0.15 nM for α2A and α2C, respectively.
4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5h,6h,7h-furo[2,3-b]quinolin-7-yl acetate
(12as,12bs)-2,3-dimethoxy-12a-(methoxycarbonyl)-5h,6h,8h,10h,11h,12h,12bh-isoindolo[1,2-a]isoquinolin-7-ium-7-olate
(1r,9s,10r)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10s)-4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(4s)-4-amino-4-{[(1s,2s)-1-{[(1s)-1-carboxy-2-methylpropyl]-c-hydroxycarbonimidoyl}-2-methylbutyl]-c-hydroxycarbonimidoyl}butanoic acid
C16H29N3O6 (359.20562540000003)
5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
4-[(1s,2r,4as,6r,8ar)-1,3,6-trimethyl-2-propyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-3,5-dihydroxypyrrol-2-one
C21H29NO4 (359.20964740000005)
4-hydroxy-6-methoxy-3-methyl-2-(8-methyldeca-2,4,6-trien-2-yl)-2h,3h,4h-pyrano[3,2-c]pyridin-5-one
C21H29NO4 (359.20964740000005)
(1s,9r,10r)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
19-[(1r)-1-ethoxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
4-[(1r,2r,4ar,6r,8ar)-1,3,6-trimethyl-2-propyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-3,5-dihydroxypyrrol-2-one
C21H29NO4 (359.20964740000005)
(2s,4e)-4-{[(1s,2r,4as,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-hydroxy-2-(hydroxymethyl)-2h-pyrrol-3-one
C21H29NO4 (359.20964740000005)
3-[(3s,6s,11ar)-1,4-dihydroxy-3-[2-(methylsulfanyl)ethyl]-7-oxo-1h,2h,3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-6-yl]propanoic acid
C15H25N3O5S (359.15148400000004)
4,5,6,17-tetramethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene
C21H29NO4 (359.20964740000005)
10-hydroxy-3-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxa-1-azatricyclo[5.2.1.0⁴,¹⁰]decane-2,6-dione
(2s,4z)-4-{[(1s,4as,6r,8ar)-1,6-dimethyl-2-[(1e)-prop-1-en-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-hydroxy-2-(hydroxymethyl)-2h-pyrrol-3-one
C21H29NO4 (359.20964740000005)
(4s,4ar,6s,7r,7as)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
C21H29NO4 (359.20964740000005)
4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
8α-ethoxyprecriwelline
{"Ingredient_id": "HBIN013626","Ingredient_name": "8\u03b1-ethoxyprecriwelline","Alias": "NA","Ingredient_formula": "C20H25NO5","Ingredient_Smile": "CCOC1C2=CC3=C(C=C2C45C=CC(CC4N(CC5O1)C)OC)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7413","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetonylevodiamine
{"Ingredient_id": "HBIN014422","Ingredient_name": "acetonylevodiamine","Alias": "NA","Ingredient_formula": "C22H21N3O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14113","TCMID_id": "114","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,8s,10r)-8-ethoxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5,12-tetraen-3-ol
C21H29NO4 (359.20964740000005)
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinoline-4,6-diol
3-butyl-7-methoxy-10-phenyl-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),4,6,9(13),10-pentaene-2,8-dione
C23H21NO3 (359.15213560000007)
(3r,4s,7r,10r)-3-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-10-hydroxy-5-oxa-1-azatricyclo[5.2.1.0⁴,¹⁰]decane-2,6-dione
11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-hydroxybutanoate
7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
C23H21NO3 (359.15213560000007)
(4r,4as,6r,7s,7ar)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
C21H29NO4 (359.20964740000005)
3-[(2e)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]-4-methoxy-1-methylquinolin-2-one
C21H29NO4 (359.20964740000005)
(4s,4ar,6s,7r,7ar)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
C21H29NO4 (359.20964740000005)
8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
C21H29NO4 (359.20964740000005)
methyl 6-hydroxy-7,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-8-carboxylate
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3r)-3-hydroxybutanoate
9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxamide
3,5-dihydroxy-4-(1,3,6-trimethyl-2-propyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl)pyrrol-2-one
C21H29NO4 (359.20964740000005)
(1r,9s,10s)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(5s,9bs,11s)-5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
(3s,5r,9bs,11r)-5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
(1s,11s,13r,16s,18r)-11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
(1s,17s)-4,5,6,17-tetramethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene
C21H29NO4 (359.20964740000005)
(1s,12s,14r)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-hydroxybutanoate
(10s)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1r,8s,10s,11r)-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6,12-tetraen-11-ol
(1r,9s,10r)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(2r,3r,4s)-4-hydroxy-6-methoxy-3-methyl-2-[(2e,4e,6e,8r)-8-methyldeca-2,4,6-trien-2-yl]-2h,3h,4h-pyrano[3,2-c]pyridin-5-one
C21H29NO4 (359.20964740000005)
(1r,9s,10s)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,11s,13r,16s)-11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,18-tetraene
8-ethoxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5,12-tetraen-3-ol
C21H29NO4 (359.20964740000005)
(1s,9r,10s)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
3-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-4-methoxy-1-methylquinolin-2-one
C21H29NO4 (359.20964740000005)
(1s,19s,20r)-9,20-dimethoxy-5,7-dioxa-14-azapentacyclo[12.7.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9,17-tetraen-19-ol
2-(3-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}propyl)isoindole-1,3-dione
(7r,8r)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5h,6h,7h-furo[2,3-b]quinolin-7-yl acetate
5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10s)-4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
19-(1-ethoxyethyl)-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
9,20-dimethoxy-5,7-dioxa-14-azapentacyclo[12.7.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9,17-tetraen-19-ol
21-methyl-1-(2-oxopropyl)-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
(1r,8s,10s)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}butanedioic acid
C16H29N3O6 (359.20562540000003)