Exact Mass: 398.0717

Exact Mass Matches: 398.0717

Found 332 metabolites which its exact mass value is equals to given mass value 398.0717, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Sulfasalazine

2-hydroxy-5-[(E)-2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}diazen-1-yl]benzoic acid

C18H14N4O5S (398.0685)


Sulfasalazine is only found in individuals that have used or taken this drug. It is a drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see mesalamine) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907)The mode of action of Sulfasalazine or its metabolites, 5-aminosalicylic acid (5-ASA) and sulfapyridine (SP), is still under investigation, but may be related to the anti-inflammatory and/or immunomodulatory properties that have been observed in animal and in vitro models, to its affinity for connective tissue, and/or to the relatively high concentration it reaches in serous fluids, the liver and intestinal walls, as demonstrated in autoradiographic studies in animals. In ulcerative colitis, clinical studies utilizing rectal administration of Sulfasalazine, SP and 5-ASA have indicated that the major therapeutic action may reside in the 5-ASA moiety. The relative contribution of the parent drug and the major metabolites in rheumatoid arthritis is unknown. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents

   

S-adenosyl-4-methylthio-2-oxobutanoate

{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(3-carboxy-3-oxopropyl)methylsulphonium

C15H20N5O6S+ (398.1134)


S-adenosyl-4-methylthio-2-oxobutanoic acid is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosyl-4-methylthio-2-oxobutanoic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). S-adenosyl-4-methylthio-2-oxobutanoic acid can be found in a number of food items such as hard wheat, chinese cabbage, cauliflower, and kai-lan, which makes S-adenosyl-4-methylthio-2-oxobutanoic acid a potential biomarker for the consumption of these food products. S-adenosyl-4-methylthio-2-oxobutanoic acid exists in E.coli (prokaryote) and yeast (eukaryote).

   

4-Dedimethyl-6-dehydro-anhydrotetracycline

4-Amino-anhydrotetracycline; 4-Amino-ATC; 4-Dedimethyl-6-dehydro-anhydrotetracycline; 4-Amino-4-de(dimethylamino)anhydrotetracycline

C20H18N2O7 (398.1114)


   

Acroptilin

Chlorohyssopifolin C

C19H23ClO7 (398.1132)


A sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties.

   

Dihydro-NAME

Dihydro-nogalonic acid methyl ester

C21H18O8 (398.1002)


   

Auramycinone

SCHEMBL11062020

C21H18O8 (398.1002)


   

Nogalamycinone

Nogalamycinone

C21H18O8 (398.1002)


   

Taraxacoside

4,5-Dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetic acid

C18H22O10 (398.1213)


Constituent of Taraxacum officinale (dandelion). Taraxacoside is found in many foods, some of which are coffee and coffee products, alcoholic beverages, tea, and dandelion. Taraxacoside is found in alcoholic beverages. Taraxacoside is a constituent of Taraxacum officinale (dandelion)

   

Picraquassioside A

3-(4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


Picraquassioside A is found in herbs and spices. Picraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Picraquassioside A is found in herbs and spices.

   

5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1213)


5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.

   

Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer

N-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulphanyl}ethanehydrazonic acid

C18H18N6O3S (398.1161)


Methyl acrylate-dvb(2\\%), copolymer, aminolyzed with dmapa is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .

   

Zearalenone 4-sulfate

(16-Hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl)oxidanesulphonic acid

C18H22O8S (398.1035)


Zearalenone 4-sulfate is produced by Fusarium graminearum grown on rice. Estrogenic mycotoxin.

   

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-3'-O-methyl-4'-O-glucuronide

(2R,3R,4R,6S)-3,4,6-trihydroxy-5-{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O10 (398.1213)


5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O10 (398.1213)


5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl

Methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O10 (398.1213)


5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl belongs to the family of Mixed Pentose/Hexose Disaccharides. These are disaccharides containing both an hexose and a pentose.

   

7-Deoxydoxorubicinone

6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C21H18O8 (398.1002)


   

Daunomycinone

8-acetyl-6,8,10,11-tetrahydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C21H18O8 (398.1002)


   

Diflomotecan

20-ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.0^{2,11}.0^{4,9}.0^{15,21}]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione

C21H16F2N2O4 (398.1078)


   

Kaltostat

3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid

C14H22O13 (398.106)


   

Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)-

13-iodo-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

C18H23IO2 (398.0743)


   

5-Sinapoylquinic acid

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1213)


5-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-sinapoylquinic acid can be found in a number of food items such as apple, european plum, sour cherry, and pear, which makes 5-sinapoylquinic acid a potential biomarker for the consumption of these food products.

   

4-Sinapoylquinic acid

(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1213)


4-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-sinapoylquinic acid can be found in a number of food items such as apricot, peach (variety), sweet cherry, and pear, which makes 4-sinapoylquinic acid a potential biomarker for the consumption of these food products.

   

3-Sinapoylquinic acid

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1213)


3-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-sinapoylquinic acid can be found in a number of food items such as sour cherry, sweet cherry, european plum, and peach (variety), which makes 3-sinapoylquinic acid a potential biomarker for the consumption of these food products. .

   

Iron naphthenate

λ²-iron(2+) ion bis(naphthalene-2-carboxylate)

C22H14FeO4 (398.0241)


It is used as a food additive .

   

Triacetylnaringenin

2-[4-(Acetyloxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5,7-diyl diacetate

C21H18O8 (398.1002)


Naringenin triacetate is a flavonoid isolated from plant, exhibits a good binding affinity with multiple crystal structures of first bromodomain BRD4 (BRD4 BD1)[1].

   

Paeciloquinone F

Paeciloquinone F

C20H14O9 (398.0638)


   

Episolstitiolide

Episolstitiolide

C19H23ClO7 (398.1132)


   

Piscerisoflavone E

Piscerisoflavone E

C21H18O8 (398.1002)


   
   
   

Cnidioside B

MEGxp0_001375

C18H22O10 (398.1213)


NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy- is a natural product found in Picrasma quassioides, Ruta graveolens, and Ammi majus with data available.

   

NCI60_019316

NCI60_019316

C21H18O8 (398.1002)


   

3,5,6-Trimethoxy-3,4-methylene-dioxyfurano[2,3:7,8]flavanone

3,5,6-Trimethoxy-3,4-methylene-dioxyfurano [ 2",3":7,8 ] flavanone

C21H18O8 (398.1002)


   
   
   

arteminorin C

arteminorin C

C20H14O9 (398.0638)


   
   

Asystasioside E

Asystasioside E

C15H23ClO10 (398.098)


   
   

Lisetinone

5,7,5-Trihydroxy-4-methoxy-6,6-dimjethyl-4,5-dihydropyrano[2,3:3,2]coumaronochromone

C21H18O8 (398.1002)


   

3,11-Diacetoxy-2-bromo-beta-chamigrene

3,11-Diacetoxy-2-bromo-beta-chamigrene

C19H27BrO4 (398.1093)


   

Propoxycarbazone

Propoxycarbazone

C15H18N4O7S (398.0896)


CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4006; ORIGINAL_PRECURSOR_SCAN_NO 4004 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3967; ORIGINAL_PRECURSOR_SCAN_NO 3962 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3990; ORIGINAL_PRECURSOR_SCAN_NO 3989 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3993; ORIGINAL_PRECURSOR_SCAN_NO 3991 ORIGINAL_PRECURSOR_SCAN_NO 8067; CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8069 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8069; ORIGINAL_PRECURSOR_SCAN_NO 8067 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8102 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8104 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8149; ORIGINAL_PRECURSOR_SCAN_NO 8144 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8151; ORIGINAL_PRECURSOR_SCAN_NO 8149 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8164; ORIGINAL_PRECURSOR_SCAN_NO 8162 CONFIDENCE standard compound; INTERNAL_ID 2528 CONFIDENCE standard compound; INTERNAL_ID 8387 CONFIDENCE standard compound; INTERNAL_ID 4014

   
   
   
   

AJ-077/33270018

AJ-077/33270018

C22H14N4O4 (398.1015)


   

sulfasalazine

Sulfasalazine (Azulfidine)

C18H14N4O5S (398.0685)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4230; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4221; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4144; ORIGINAL_PRECURSOR_SCAN_NO 4143 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4237; ORIGINAL_PRECURSOR_SCAN_NO 4236 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4245; ORIGINAL_PRECURSOR_SCAN_NO 4244 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8819; ORIGINAL_PRECURSOR_SCAN_NO 8816 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8829; ORIGINAL_PRECURSOR_SCAN_NO 8824 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8833; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8838 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8867; ORIGINAL_PRECURSOR_SCAN_NO 8863 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8846; ORIGINAL_PRECURSOR_SCAN_NO 8844

   
   

Subcoriacin

Subcoriacin

C21H18O8 (398.1002)


   

7-methoxy averufin

7-methoxy averufin

C21H18O8 (398.1002)


   

11-bromochromomoric acid D-III methyl ester

11-bromochromomoric acid D-III methyl ester

C19H27BrO4 (398.1093)


   

5,7-diacetoxy-8,4-dimethoxyflavone|Cirsitakaogenin-acetat|galangustin diacetate|galangustin-diacetate

5,7-diacetoxy-8,4-dimethoxyflavone|Cirsitakaogenin-acetat|galangustin diacetate|galangustin-diacetate

C21H18O8 (398.1002)


   

Methoxy-benzolpentacarbonsaeurepentamethylester

Methoxy-benzolpentacarbonsaeurepentamethylester

C17H18O11 (398.0849)


   

4-demethylisopicropodophyllone

4-demethylisopicropodophyllone

C21H18O8 (398.1002)


   

CHEMBL1883325

CHEMBL1883325

C21H18O8 (398.1002)


   
   
   

rakanmakilactone G

rakanmakilactone G

C19H23ClO7 (398.1132)


   

6-carboxyethyl-7-methoxy-5-hydroxybenzofuran 5-O-beta-D-glucopyranoside|Picraquassioside A

6-carboxyethyl-7-methoxy-5-hydroxybenzofuran 5-O-beta-D-glucopyranoside|Picraquassioside A

C18H22O10 (398.1213)


   

Boletopsin C

Boletopsin C

C20H14O9 (398.0638)


   

5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenyl-trans-acryloyl)-1-benzopyran-2-one|interruptin B

5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenyl-trans-acryloyl)-1-benzopyran-2-one|interruptin B

C25H18O5 (398.1154)


   

Mollicelllin B

Mollicelllin B

C21H18O8 (398.1002)


   

(1R,2S,3S,4R,5S,7R)-2,4-dihydroxy-7-hydroxymethyl-3-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy]-6,8-dioxabicyclo[3.2.1]octan-5-carboxylic acid|4-O-caffeoyl-2,7-anhydro-D-glycero-beta-D-galacto-oct-2-ulopyranosic acid

(1R,2S,3S,4R,5S,7R)-2,4-dihydroxy-7-hydroxymethyl-3-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy]-6,8-dioxabicyclo[3.2.1]octan-5-carboxylic acid|4-O-caffeoyl-2,7-anhydro-D-glycero-beta-D-galacto-oct-2-ulopyranosic acid

C17H18O11 (398.0849)


   
   
   

6-Acetoxy-5,7-dimethoxy-11,12-methylendioxycoumeston

6-Acetoxy-5,7-dimethoxy-11,12-methylendioxycoumeston

C20H14O9 (398.0638)


   

13,14-Didehydro-Welwitindolinone B isothiocyanate

13,14-Didehydro-Welwitindolinone B isothiocyanate

C21H19ClN2O2S (398.0856)


   
   

n-(2-[6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indol-3-yl]ethyl)-n-methylmethanesulfonamide

n-(2-[6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indol-3-yl]ethyl)-n-methylmethanesulfonamide

C17H23BrN2O2S (398.0664)


   

6,8-dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

6,8-dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

C18H22O10 (398.1213)


   
   

chloroscabrolide A

chloroscabrolide A

C19H23ClO7 (398.1132)


   

pulmonarianin

pulmonarianin

C21H18O8 (398.1002)


   

3-O-angeloyl-isorhamnetin

3-O-angeloyl-isorhamnetin

C21H18O8 (398.1002)


   

3R-(+)-5-O-[6-O-acetyl]-alpha-D-glucopyranosyl-5-hydroxymellein

3R-(+)-5-O-[6-O-acetyl]-alpha-D-glucopyranosyl-5-hydroxymellein

C18H22O10 (398.1213)


   

engelharquinonol

engelharquinonol

C20H14O9 (398.0638)


   

diepoxin kappa

diepoxin kappa

C21H18O8 (398.1002)


   

Lanneaflavonol

Lanneaflavonol

C21H18O8 (398.1002)


   

3-O-senecioyl-isorhamnetin

3-O-senecioyl-isorhamnetin

C21H18O8 (398.1002)


   

Chloroepdiolide

Chloroepdiolide

C19H23ClO7 (398.1132)


   

canthin-6-one 9-O-beta-glucopyranoside|Canthin-6-one 9-O-??-glucopyranoside

canthin-6-one 9-O-beta-glucopyranoside|Canthin-6-one 9-O-??-glucopyranoside

C20H18N2O7 (398.1114)


   

chlorjanerin|chlorojanerin

chlorjanerin|chlorojanerin

C19H23ClO7 (398.1132)


   
   

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-

C21H18O8 (398.1002)


   

Naringenin triacetate

Naringenin triacetate

C21H18O8 (398.1002)


   

18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene

18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene

C19H27BrO4 (398.1093)


   

Antibiotic DC 44B

Antibiotic DC 44B

C21H18O8 (398.1002)


   

(+-)-3,4,7-Tri-O-acetylbutin|(+-)-3,4,7-Tri-O-acetyl-2,3-trans-butin|(+-)-Butintriacetat|3,4,7-Triacetoxyflavon|7-Acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-on|7-acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-one|Triacetyl-(+-)-butin

(+-)-3,4,7-Tri-O-acetylbutin|(+-)-3,4,7-Tri-O-acetyl-2,3-trans-butin|(+-)-Butintriacetat|3,4,7-Triacetoxyflavon|7-Acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-on|7-acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-one|Triacetyl-(+-)-butin

C21H18O8 (398.1002)


   

2-O-Acetyl-4-O-(beta-D-galaktopyranosyluronsaeure)-D-galaktose

2-O-Acetyl-4-O-(beta-D-galaktopyranosyluronsaeure)-D-galaktose

C14H22O13 (398.106)


   

4,5-di-O-acetyl-7-O-methyltectorigenin|4.5-Diacetoxy-6.7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxyisoflavon|5-acetoxy-3-(4-acetoxy-phenyl)-6,7-dimethoxy-chromen-4-one|5.4-Diacetoxy-6.7-dimethoxy-isoflavon

4,5-di-O-acetyl-7-O-methyltectorigenin|4.5-Diacetoxy-6.7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxyisoflavon|5-acetoxy-3-(4-acetoxy-phenyl)-6,7-dimethoxy-chromen-4-one|5.4-Diacetoxy-6.7-dimethoxy-isoflavon

C21H18O8 (398.1002)


   
   

mollicellin N

mollicellin N

C21H18O8 (398.1002)


A member of the class of depsidones that is 3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity.

   
   

Lignan from Justicia heterocarpa

Lignan from Justicia heterocarpa

C21H18O8 (398.1002)


   

O-sinapoylglucarolactone

O-sinapoylglucarolactone

C17H18O11 (398.0849)


   

Sinapoyl quinic acid

Sinapoyl quinic acid

C18H22O10 (398.1213)


   

C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy

NCGC00168932-02_C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy-

C18H22O10 (398.1213)


   

C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy

NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-

C18H22O10 (398.1213)


   

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE

C19H27BrO4 (398.1093)


   

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE_major

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE_major

C19H27BrO4 (398.1093)


   

Ala Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O5S3 (398.0752)


   

Cys Ala Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O5S3 (398.0752)


   

Cys Cys Ala Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanoic acid

C12H22N4O5S3 (398.0752)


   

Cys Cys Cys Ala

(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]propanoic acid

C12H22N4O5S3 (398.0752)


   

Cys Cys Ser Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C12H22N4O7S2 (398.093)


   

Cys Ser Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C12H22N4O7S2 (398.093)


   

Cys Ser Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C12H22N4O7S2 (398.093)


   

Ser Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C12H22N4O7S2 (398.093)


   

Ser Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C12H22N4O7S2 (398.093)


   

Ser Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O7S2 (398.093)


   

BROMO-3-HYDROXY-4- (SUCCIN-2-YL)-CARYOLANE γ-LACTONE

BROMO-3-HYDROXY-4- (SUCCIN-2-YL)-CARYOLANE γ-LACTONE

C19H27BrO4 (398.1093)


   

7-Deoxyadriamycinone

7-Deoxyadriamycinone

C21H18O8 (398.1002)


   

Daunomycinone

Daunorubicin aglycone

C21H18O8 (398.1002)


   

5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide

2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1213)


   

Taraxacoside

4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetate

C18H22O10 (398.1213)


   

Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer

4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide

C18H18N6O3S (398.1161)


   

Zearalenone 4-sulfate

(16-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl)oxidanesulfonic acid

C18H22O8S (398.1035)


   

Picraquassioside A

3-(4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


   

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

C19H27BrO4 (398.1093)


   

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

C19H27O4Br (398.1093)


   

methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate

methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate

C17H13F3N2O4S (398.0548)


   

N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide

N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide

C18H14F4N2O2S (398.0712)


   

ovalene

ovalene

C32H14 (398.1095)


   

Pyrimido[4,5-g]quinazoline-4,9-dione,2,7-bis(chloromethyl)-3,8-dihydro-5,10-dimethoxy-3,8-dimethyl-

Pyrimido[4,5-g]quinazoline-4,9-dione,2,7-bis(chloromethyl)-3,8-dihydro-5,10-dimethoxy-3,8-dimethyl-

C16H16Cl2N4O4 (398.0549)


   

acetonyl triphenylphosphonium bromide

acetonyl triphenylphosphonium bromide

C21H20BrOP (398.0435)


   

[2,2,3,3,4,4,5,5-octafluoro-6-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

[2,2,3,3,4,4,5,5-octafluoro-6-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

C14H14F8O4 (398.0764)


   

(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)

(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)

C17H22N2O7S (398.1148)


   

2-(4-BOC-PIPERAZINYL)-2-(3-BROMO-PHENYL)ACETIC ACID

2-(4-BOC-PIPERAZINYL)-2-(3-BROMO-PHENYL)ACETIC ACID

C17H23BrN2O4 (398.0841)


   

clefamide

clefamide

C17H16Cl2N2O5 (398.0436)


P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AC - Dichloroacetamide derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

   
   

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

C22H23O3PS (398.1105)


   

Trimethylolpropane Tris(3-mercaptopropionate)

Trimethylolpropane Tris(3-mercaptopropionate)

C15H26O6S3 (398.0891)


   

N1,N1-Bis(4-aminophenyl)benzene-1,4-diamine trihydrochloride

N1,N1-Bis(4-aminophenyl)benzene-1,4-diamine trihydrochloride

C18H21Cl3N4 (398.0832)


   

METHYL 6-(TRIFLUOROMETHYL)-1-TOSYL-1H-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXYLATE

METHYL 6-(TRIFLUOROMETHYL)-1-TOSYL-1H-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXYLATE

C17H13F3N2O4S (398.0548)


   
   

2-(4-Boc-piperazinyl)-α-(4-bromo-phenyl)acetic acid

2-(4-Boc-piperazinyl)-α-(4-bromo-phenyl)acetic acid

C17H23BrN2O4 (398.0841)


   

2-(4-Boc-piperazinyl)-α-(2-bromo-phenyl)acetic acid

2-(4-Boc-piperazinyl)-α-(2-bromo-phenyl)acetic acid

C17H23BrN2O4 (398.0841)


   

(2-butyl)triphenylphosphonium bromide

(2-butyl)triphenylphosphonium bromide

C22H24BrP (398.0799)


   

17-Iodoandrosta-5,16-dien-3beta-ol

17-Iodoandrosta-5,16-dien-3beta-ol

C19H27IO (398.1107)


   

1,3-Bis(3-aminophenoxy)-5-chlorobenzene Dihydrochloride

1,3-Bis(3-aminophenoxy)-5-chlorobenzene Dihydrochloride

C18H17Cl3N2O2 (398.0356)


   

2,3,4,6-tetra-o-acetyl-1-azido-1-deoxy-alpha-d-galactopyranosyl cyanide

2,3,4,6-tetra-o-acetyl-1-azido-1-deoxy-alpha-d-galactopyranosyl cyanide

C15H18N4O9 (398.1074)


   

edta tetrasodium salt: hydrate

edta tetrasodium salt: hydrate

C10H14N2Na4O9 (398.029)


   

Isobutyltriphenylphosphonium bromide

Isobutyltriphenylphosphonium bromide

C22H24BrP (398.0799)


   

Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-

Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-

C17H17F3N4O4 (398.1202)


   

(2S,3R)-3-AMINOBUTAN-2-OL

(2S,3R)-3-AMINOBUTAN-2-OL

C18H22O6S2 (398.0858)


   

1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine,hydrochloride

1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine,hydrochloride

C12H13ClF6N2O2S (398.029)


   

Butyltriphenylphosphonium bromide

Butyltriphenylphosphonium bromide

C22H24BrP (398.0799)


   

2-ethoxy-5-[(3-methyl-4-nitrobenzoyl)amino]benzenesulfonyl chloride

2-ethoxy-5-[(3-methyl-4-nitrobenzoyl)amino]benzenesulfonyl chloride

C16H15ClN2O6S (398.0339)


   

DIFLOMOTECAN

20-Ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione

C21H16F2N2O4 (398.1078)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor

   

Benzo1,2-b:4,5-bdifuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)-

Benzo1,2-b:4,5-bdifuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)-

C25H18O5 (398.1154)


   

Aspirin calcium

Aspirin calcium

C18H14CaO8 (398.0315)


D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors D058633 - Antipyretics

   

(R,R)-1,1-Bis(hydroxy(phenyl)methyl)ferrocene

(R,R)-1,1-Bis(hydroxy(phenyl)methyl)ferrocene

C24H22FeO2 (398.0969)


   

Chloro(crotyl)(tri-tert-butylphosphine)palladium(II)

Chloro(crotyl)(tri-tert-butylphosphine)palladium(II)

C16H34ClPPd (398.1121)


   

Tris(ethylenediamine)cobalt(III) chloride trihydrate

Tris(ethylenediamine)cobalt(III) chloride trihydrate

C6H30Cl3CoN6O3 (398.0777)


   

2,2-thiobis[4-chloro-6-isopropyl-m-cresol]

2,2-thiobis[4-chloro-6-isopropyl-m-cresol]

C20H24Cl2O2S (398.0874)


   

tert-butyl 4-(3-bromo-5-methoxycarbonylphenyl)piperazine-1-carboxylate

tert-butyl 4-(3-bromo-5-methoxycarbonylphenyl)piperazine-1-carboxylate

C17H23BrN2O4 (398.0841)


   
   

3-(PERFLUORO-3-METHYLBUTYL)-2-HYDROXYPROPYL ACRYLATE

3-(PERFLUORO-3-METHYLBUTYL)-2-HYDROXYPROPYL ACRYLATE

C11H9F11O3 (398.0376)


   

(S)-1-(1-(4-Chloro-2-methoxyphenyl)-5-fluoro-1,9-dihydrospiro[cyclopropane-1,4-pyrido[3,4-b]indol]-2(3H)-yl)ethan-1-one

(S)-1-(1-(4-Chloro-2-methoxyphenyl)-5-fluoro-1,9-dihydrospiro[cyclopropane-1,4-pyrido[3,4-b]indol]-2(3H)-yl)ethan-1-one

C22H20ClFN2O2 (398.1197)


   

(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide

(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide

C17H22N2O5S2 (398.097)


   

N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide

N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide

C20H16F2N4O3 (398.119)


   

Farnesyl thiopyrophosphate

Farnesyl thiopyrophosphate

C15H28O6P2S (398.1082)


   
   

2,6-Dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester

2,6-Dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester

C20H12Cl2N2O3 (398.0225)


   

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-1-benzopyran-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-1-benzopyran-2-carboxamide

C23H14N2O3S (398.0725)


   

4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C16H22N4O4S2 (398.1082)


   

7-(2,5-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

7-(2,5-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

C17H17F3N4O4 (398.1202)


   

4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-YL)benzenesulfonamide

4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-YL)benzenesulfonamide

C18H14N4O3S2 (398.0507)


   

5-(4-Cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid

5-(4-Cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid

C19H14N2O4S2 (398.0395)


   

(5z)-5-[(5-Ethyl-2-Furyl)methylene]-2-{[(S)-(4-Fluorophenyl)(1h-Tetrazol-5-Yl)methyl]amino}-1,3-Thiazol-4(5h)-One

(5z)-5-[(5-Ethyl-2-Furyl)methylene]-2-{[(S)-(4-Fluorophenyl)(1h-Tetrazol-5-Yl)methyl]amino}-1,3-Thiazol-4(5h)-One

C18H15FN6O2S (398.0961)


   
   

5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1213)


5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.

   

2-[8-(Bromomethyl)-4,4-dimethyl-13-oxo-14-oxatetracyclo[6.6.1.01,11.02,5]pentadecan-12-yl]acetic acid

2-[8-(Bromomethyl)-4,4-dimethyl-13-oxo-14-oxatetracyclo[6.6.1.01,11.02,5]pentadecan-12-yl]acetic acid

C19H27BrO4 (398.1093)


   

welwitindolinone C isothiocyanate

welwitindolinone C isothiocyanate

C21H19ClN2O2S (398.0856)


   

Bacillithiol

Bacillithiol

C13H22N2O10S (398.0995)


A thiol that is the alpha-anomeric glycoside of L-cysteinyl-D-glucosamine with L-malic acid.

   

(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

C20H18N2O7 (398.1114)


   

methyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-1,3-benzothiazole-6-carboxylate

methyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-1,3-benzothiazole-6-carboxylate

C18H14N4O3S2 (398.0507)


   

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetate

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetate

C19H16N3O7- (398.0988)


   

Bis(glycerophosphoglycerol)

Bis(glycerophosphoglycerol)

C9H20O13P2-2 (398.0379)


   

[3-[2-(2-Acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]phosphonic acid

[3-[2-(2-Acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]phosphonic acid

C13H23N2O8PS-2 (398.0913)


   

(2R)-2-[(3S)-3-[[(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetate

(2R)-2-[(3S)-3-[[(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetate

C19H16N3O7- (398.0988)


   

4-Sinapoylquinic acid

4-Sinapoylquinic acid

C18H22O10 (398.1213)


   

3-O-sinapoylquinic acid

3-O-sinapoylquinic acid

C18H22O10 (398.1213)


A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 3-hydroxy group of (-)-quinic acid.

   

16-Iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

16-Iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

C18H23IO2 (398.0743)


   

6-Hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid

6-Hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid

C20H14O9 (398.0638)


   

S-acetyl-4-phosphopantetheine

S-acetyl-4-phosphopantetheine

C13H23N2O8PS-2 (398.0913)


   

4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C20H15FN2O4S (398.0737)


   

4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

C20H15ClN2O3S (398.0492)


   

(6Z)-6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

(6Z)-6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C18H15ClN6OS (398.0717)


   

S-acetylphosphopantotheine(2-)

S-acetylphosphopantotheine(2-)

C13H23N2O8PS-2 (398.0913)


   

N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

C17H14N6O6 (398.0975)


   

2-[[4-Phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole

2-[[4-Phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole

C19H18N4S3 (398.0694)


   

2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide

C19H18N4O4S (398.1049)


   

N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide

N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide

C20H15ClN2O5 (398.0669)


   

2-(1,3-Benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole

2-(1,3-Benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole

C18H11FN4O4S (398.0485)


   

7-(2,3-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

7-(2,3-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

C17H17F3N4O4 (398.1202)


   

4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C16H19ClN4O2S2 (398.0638)


   

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]amino]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]amino]benzenesulfonamide

C19H18N4O4S (398.1049)


   

1-[2-(2,3-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

1-[2-(2,3-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

C17H20Cl2N4OS (398.0735)


   

1-[2-(2,6-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

1-[2-(2,6-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

C17H20Cl2N4OS (398.0735)


   

(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

C18H22O10 (398.1213)


A natural product found in Conoideocrella tenuis.

   

(2R,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2R,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11)


   

(2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11)


   

(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11)


   

methyl 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoate

methyl 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoate

C17H23BrN2O4 (398.0841)


   

(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11)


   

(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11)


   

[2-Methoxy-4-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate

[2-Methoxy-4-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate

C16H14O10S (398.0308)


   

6-[2-(Acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2-(Acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H22O13 (398.106)


   

6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-phenylchromen-4-one

6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-phenylchromen-4-one

C21H18O8 (398.1002)


   

S-adenosyl-4-methylthio-2-oxobutanoate

S-adenosyl-4-methylthio-2-oxobutanoate

C15H20N5O6S+ (398.1134)


   

Dihydro-nogalonic acid methyl ester

Dihydro-nogalonic acid methyl ester

C21H18O8 (398.1002)


   

4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion

4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion

C20H18N2O7 (398.1114)


A zwtterion obtained by transfer of a proton from the 2-hydroxy to the primary amino group of 4-amino-4-de(dimethylamino)anhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

nocardicin E(1-)

nocardicin E(1-)

C19H16N3O7 (398.0988)


Conjugate base of nocardicin E.

   

5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide

5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide

C18H22O10 (398.1213)


   

4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide

4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide

C18H18N6O3S (398.1161)


   

5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl

5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl

C18H22O10 (398.1213)


   

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide

C18H22O10 (398.1213)


   

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide

C18H22O10 (398.1213)


   

4-O-sinapoylquinic acid

4-O-sinapoylquinic acid

C18H22O10 (398.1213)


A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 4-hydroxy group of (-)-quinic acid.

   

5-O-sinapoylquinic acid

5-O-sinapoylquinic acid

C18H22O10 (398.1213)


A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 5-hydroxy group of (-)-quinic acid.

   

4-amino-4-de(dimethylamino)anhydrotetracycline

4-amino-4-de(dimethylamino)anhydrotetracycline

C20H18N2O7 (398.1114)


A member of the class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen.

   

S-Adenosyl-4-methylthio-2-oxobutanoic acid

S-Adenosyl-4-methylthio-2-oxobutanoic acid

C15H20N5O6S (398.1134)


A sulfonium compound comprising 4-methylthio-2-oxobutanoic acid having an adenosin-5-yl group attached to the sulfur.

   
   
   

(1s,6r,9r,12r,13r,14r,15r,16s)-15-chloro-13,14-dihydroxy-6-[(2r)-1-hydroxypropan-2-yl]-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-diene-4,11-dione

(1s,6r,9r,12r,13r,14r,15r,16s)-15-chloro-13,14-dihydroxy-6-[(2r)-1-hydroxypropan-2-yl]-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-diene-4,11-dione

C19H23ClO7 (398.1132)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2r)-3-chloro-2-hydroxy-2-methylpropanoate

(3ar,4s,6ar,8s,9s,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2r)-3-chloro-2-hydroxy-2-methylpropanoate

C19H23ClO7 (398.1132)


   

5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenylprop-2-enoyl)chromen-2-one

5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenylprop-2-enoyl)chromen-2-one

C25H18O5 (398.1154)


   

3-(4-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

3-(4-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


   

methyl (9s,10e)-11-[(2s,3s)-3-[(2z)-5-bromopent-2-en-4-yn-1-yl]oxiran-2-yl]-9-hydroxyundec-10-enoate

methyl (9s,10e)-11-[(2s,3s)-3-[(2z)-5-bromopent-2-en-4-yn-1-yl]oxiran-2-yl]-9-hydroxyundec-10-enoate

C19H27BrO4 (398.1093)


   

(9r,13r)-5-hydroxy-3,4-dimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2,4,6,15,17(21)-hexaene-10,14-dione

(9r,13r)-5-hydroxy-3,4-dimethoxy-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2,4,6,15,17(21)-hexaene-10,14-dione

C21H18O8 (398.1002)


   

{3,4,5-trihydroxy-6-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl)oxy]oxan-2-yl}methyl acetate

{3,4,5-trihydroxy-6-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl)oxy]oxan-2-yl}methyl acetate

C18H22O10 (398.1213)


   

15-chloro-8,13,14-trihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

15-chloro-8,13,14-trihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

C19H23ClO7 (398.1132)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2s)-2-methyloxirane-2-carboxylate

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2s)-2-methyloxirane-2-carboxylate

C19H23ClO7 (398.1132)


   

3-({[(2s,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-8-hydroxy-6-methoxyisochromen-1-one

3-({[(2s,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-8-hydroxy-6-methoxyisochromen-1-one

C18H22O10 (398.1213)


   

2-({6-chloro-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-({6-chloro-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

(3ar,4s,6ar,8s,9r,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2s)-3-chloro-2-hydroxy-2-methylpropanoate

(3ar,4s,6ar,8s,9r,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2s)-3-chloro-2-hydroxy-2-methylpropanoate

C19H23ClO7 (398.1132)


   

13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C20H18N2O7 (398.1114)


   

(1r)-5,7'-dihydroxy-10'-methoxy-2,3-dihydrospiro[indene-1,3'-phenanthro[2,1-b]furan]-2'-one

(1r)-5,7'-dihydroxy-10'-methoxy-2,3-dihydrospiro[indene-1,3'-phenanthro[2,1-b]furan]-2'-one

C25H18O5 (398.1154)


   

9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

C19H23ClO7 (398.1132)


   

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

C17H18O11 (398.0849)


   

2-{[6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

(10s,11s,15s)-11-hydroxy-10-(6-methoxy-2h-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

(10s,11s,15s)-11-hydroxy-10-(6-methoxy-2h-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

C21H18O8 (398.1002)


   

(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(3r)-5-oxooxolan-3-yl]oxy}oxan-3-yl 2-(4-hydroxyphenyl)acetate

(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(3r)-5-oxooxolan-3-yl]oxy}oxan-3-yl 2-(4-hydroxyphenyl)acetate

C18H22O10 (398.1213)


   

(3s,9r)-13-chloro-9,14-dihydroxy-16-methoxy-3-methyl-3,4,5,7,8,9,10,12-octahydro-2-benzoxacyclotetradecine-1,6,11-trione

(3s,9r)-13-chloro-9,14-dihydroxy-16-methoxy-3-methyl-3,4,5,7,8,9,10,12-octahydro-2-benzoxacyclotetradecine-1,6,11-trione

C19H23ClO7 (398.1132)


   

11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C20H18N2O7 (398.1114)


   

(3ar,4s,6ar,7s,8s,9s,9as,9br)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

(3ar,4s,6ar,7s,8s,9s,9as,9br)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

C19H23ClO7 (398.1132)


   

(7r)-3-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

(7r)-3-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

C21H18O8 (398.1002)


   

(2s,3s,4s,5r,6r)-2-{[(1s,4as,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3s,4s,5r,6r)-2-{[(1s,4as,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

11-hydroxy-10-(6-methoxy-2h-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

11-hydroxy-10-(6-methoxy-2h-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

C21H18O8 (398.1002)


   

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methyloxirane-2-carboxylate

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methyloxirane-2-carboxylate

C19H23ClO7 (398.1132)


   

2-{[6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-5-methoxy-3-methylisochromen-1-one

6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-5-methoxy-3-methylisochromen-1-one

C18H22O10 (398.1213)


   

methyl (1r,4r,8r,11e,14s)-11-[(4-hydroxy-3-methoxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

methyl (1r,4r,8r,11e,14s)-11-[(4-hydroxy-3-methoxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

C21H18O8 (398.1002)


   

11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C20H18N2O7 (398.1114)


   

7-hydroxy-3-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-6-[4-hydroxy-3-(hydroxymethyl)but-2-en-1-yl]chromen-2-one

7-hydroxy-3-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-6-[4-hydroxy-3-(hydroxymethyl)but-2-en-1-yl]chromen-2-one

C21H18O8 (398.1002)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2r)-2-methyloxirane-2-carboxylate

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2r)-2-methyloxirane-2-carboxylate

C19H23ClO7 (398.1132)


   

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl]oxy}oxan-2-yl]methyl acetate

C18H22O10 (398.1213)


   

3-(7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

3-(7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


   

5,7-dihydroxy-6-methyl-4-phenyl-8-[(2e)-3-phenylprop-2-enoyl]chromen-2-one

5,7-dihydroxy-6-methyl-4-phenyl-8-[(2e)-3-phenylprop-2-enoyl]chromen-2-one

C25H18O5 (398.1154)


   

(3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7r,7as)-6-chloro-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7r,7as)-6-chloro-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

12-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

12-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C20H18N2O7 (398.1114)


   

4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,9,11(15),12-pentaen-16-one

4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,9,11(15),12-pentaen-16-one

C21H19ClN2O2S (398.0856)


   

(3s,7r,8s,9s)-13-chloro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one

(3s,7r,8s,9s)-13-chloro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one

C19H23ClO7 (398.1132)


   

6',7,7'-trihydroxy-6,8-dimethoxy-[3,3'-bichromene]-2,2'-dione

6',7,7'-trihydroxy-6,8-dimethoxy-[3,3'-bichromene]-2,2'-dione

C20H14O9 (398.0638)


   

13-chloro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one

13-chloro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one

C19H23ClO7 (398.1132)


   

(2s)-2-[(3-{[(2r)-2-amino-1-hydroxy-3-sulfanylpropylidene]amino}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]butanedioic acid

(2s)-2-[(3-{[(2r)-2-amino-1-hydroxy-3-sulfanylpropylidene]amino}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]butanedioic acid

C13H22N2O10S (398.0995)


   

(1s,17r)-3,7,9-trihydroxy-17-methyl-5,12-dioxo-16,20-dioxapentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6,8,10,13-hexaene-1-carboxylic acid

(1s,17r)-3,7,9-trihydroxy-17-methyl-5,12-dioxo-16,20-dioxapentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6,8,10,13-hexaene-1-carboxylic acid

C20H14O9 (398.0638)


   

3-(3-hydroxyprop-1-en-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

3-(3-hydroxyprop-1-en-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

C21H18O8 (398.1002)


   

12-(2h-1,3-benzodioxol-5-yl)-7,8,11-trimethoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

12-(2h-1,3-benzodioxol-5-yl)-7,8,11-trimethoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

C21H18O8 (398.1002)


   

(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7r,7as)-6-chloro-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7r,7as)-6-chloro-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

(2s,3s,6s,8r)-4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,9,11(15),12-pentaen-16-one

(2s,3s,6s,8r)-4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,9,11(15),12-pentaen-16-one

C21H19ClN2O2S (398.0856)


   

5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),20-heptaen-3-one

5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),20-heptaen-3-one

C21H18O8 (398.1002)


   

3-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-8-hydroxy-6-methoxyisochromen-1-one

3-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-8-hydroxy-6-methoxyisochromen-1-one

C18H22O10 (398.1213)


   

5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-6-methoxy-3-methylisochromen-1-one

5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-6-methoxy-3-methylisochromen-1-one

C18H22O10 (398.1213)


   

3-(7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-6-yl)propanoic acid

3-(7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-6-yl)propanoic acid

C18H22O10 (398.1213)


   

methyl (2r)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (2r)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C21H18O8 (398.1002)


   

(1r,6s,8r,9s)-9-(acetyloxy)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-3-en-1-yl acetate

(1r,6s,8r,9s)-9-(acetyloxy)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-3-en-1-yl acetate

C19H27BrO4 (398.1093)


   

(2s,3r,4s,5s,6r)-2-{[(1r,4s,5r,6s,7r,8s,9s)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(1r,4s,5r,6s,7r,8s,9s)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

methyl (1r,4r,8r,10r,11e,14s)-11-[(4-hydroxy-3-methoxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

methyl (1r,4r,8r,10r,11e,14s)-11-[(4-hydroxy-3-methoxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

C21H18O8 (398.1002)


   

5,7'-dihydroxy-10'-methoxy-2,3-dihydrospiro[indene-1,3'-phenanthro[2,1-b]furan]-2'-one

5,7'-dihydroxy-10'-methoxy-2,3-dihydrospiro[indene-1,3'-phenanthro[2,1-b]furan]-2'-one

C25H18O5 (398.1154)


   

8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoate

8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoate

C19H23ClO7 (398.1132)


   

13-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

13-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C20H18N2O7 (398.1114)


   

14,16-dimethoxy-20-oxo-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-15-yl acetate

14,16-dimethoxy-20-oxo-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-15-yl acetate

C20H14O9 (398.0638)


   

(3ar,4s,6ar,7r,8s,9s,9as,9br)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

(3ar,4s,6ar,7r,8s,9s,9as,9br)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

C19H23ClO7 (398.1132)


   

methyl 2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C21H18O8 (398.1002)


   

(11r,12s)-12-(2h-1,3-benzodioxol-5-yl)-7,8,11-trimethoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

(11r,12s)-12-(2h-1,3-benzodioxol-5-yl)-7,8,11-trimethoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

C21H18O8 (398.1002)


   

(1s,17s)-3,7,9-trihydroxy-8-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione

(1s,17s)-3,7,9-trihydroxy-8-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione

C21H18O8 (398.1002)


   

(3ar,4s,6ar,7r,8s,9s,9as,9bs)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

(3ar,4s,6ar,7r,8s,9s,9as,9bs)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

C19H23ClO7 (398.1132)


   

(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7s,7ar)-6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7s,7ar)-6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C21H18O8 (398.1002)


   

2-({5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-({5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

3,7,9-trihydroxy-17-methyl-5,12-dioxo-16,20-dioxapentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6,8,10,13-hexaene-1-carboxylic acid

3,7,9-trihydroxy-17-methyl-5,12-dioxo-16,20-dioxapentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6,8,10,13-hexaene-1-carboxylic acid

C20H14O9 (398.0638)


   

3,7,9-trihydroxy-8-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione

3,7,9-trihydroxy-8-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione

C21H18O8 (398.1002)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

C19H23ClO7 (398.1132)


   

n-{2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]ethyl}-n-methylmethanesulfonamide

n-{2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]ethyl}-n-methylmethanesulfonamide

C17H23BrN2O2S (398.0664)


   

3-(4-methoxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

3-(4-methoxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


   

(3s,5e,7r,8s,9s,11e)-13-chloro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one

(3s,5e,7r,8s,9s,11e)-13-chloro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one

C19H23ClO7 (398.1132)


   

3-[4-(acetyloxy)phenyl]-6,7-dimethoxy-4-oxochromen-5-yl acetate

3-[4-(acetyloxy)phenyl]-6,7-dimethoxy-4-oxochromen-5-yl acetate

C21H18O8 (398.1002)


   

4-[(2s)-7,8-bis(acetyloxy)-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl acetate

4-[(2s)-7,8-bis(acetyloxy)-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl acetate

C21H18O8 (398.1002)


   

(7s)-3-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

(7s)-3-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

C21H18O8 (398.1002)


   

(2s,3r,4s,5s,6r)-2-{[(1s,5s,6r,7r)-6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(1s,5s,6r,7r)-6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

nogalavinone

nogalavinone

C21H18O8 (398.1002)


   

(11s,12r)-12-(2h-1,3-benzodioxol-5-yl)-7,8,11-trimethoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

(11s,12r)-12-(2h-1,3-benzodioxol-5-yl)-7,8,11-trimethoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one

C21H18O8 (398.1002)


   

3-(7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

3-(7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


   

(11s,15r,16r)-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

(11s,15r,16r)-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C21H18O8 (398.1002)


   

5-{[(2r,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-6-methoxy-3-methylisochromen-1-one

5-{[(2r,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-6-methoxy-3-methylisochromen-1-one

C18H22O10 (398.1213)


   

(1r,17s,20s)-3,9,20-trihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione

(1r,17s,20s)-3,9,20-trihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione

C21H18O8 (398.1002)


   

3-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-6-(3,4-dihydroxyphenyl)-4-hydroxypyran-2-one

3-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-6-(3,4-dihydroxyphenyl)-4-hydroxypyran-2-one

C21H18O8 (398.1002)


   

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

C19H23ClO7 (398.1132)


   

5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-1-benzofuran-7-yl]chromen-4-one

5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-1-benzofuran-7-yl]chromen-4-one

C21H18O8 (398.1002)


   

15-chloro-13,14-dihydroxy-6-(1-hydroxypropan-2-yl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-diene-4,11-dione

15-chloro-13,14-dihydroxy-6-(1-hydroxypropan-2-yl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-diene-4,11-dione

C19H23ClO7 (398.1132)


   

(16s)-5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),20-heptaen-3-one

(16s)-5,7,16-trihydroxy-20-methoxy-17,17-dimethyl-10,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),20-heptaen-3-one

C21H18O8 (398.1002)


   

(1s,8r,9s,12r,13r,14r,15r,16s)-15-chloro-8,13,14-trihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

(1s,8r,9s,12r,13r,14r,15r,16s)-15-chloro-8,13,14-trihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

C19H23ClO7 (398.1132)


   

(2s,3s,4s,5s,6r)-2-{[(1r,4s,5r,6s,7r,8s,9s)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3s,4s,5s,6r)-2-{[(1r,4s,5r,6s,7r,8s,9s)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7r,7as)-6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6r,7r,7as)-6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

3,9,20-trihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione

3,9,20-trihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione

C21H18O8 (398.1002)


   

12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C20H18N2O7 (398.1114)


   

(1s,2s,3s,4r,5s,7r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

(1s,2s,3s,4r,5s,7r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

C17H18O11 (398.0849)


   

(11r,15r,16r)-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

(11r,15r,16r)-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione

C21H18O8 (398.1002)


   

methyl 11-[3-(5-bromopent-2-en-4-yn-1-yl)oxiran-2-yl]-9-hydroxyundec-10-enoate

methyl 11-[3-(5-bromopent-2-en-4-yn-1-yl)oxiran-2-yl]-9-hydroxyundec-10-enoate

C19H27BrO4 (398.1093)


   

4-[7,8-bis(acetyloxy)-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl acetate

4-[7,8-bis(acetyloxy)-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenyl acetate

C21H18O8 (398.1002)


   

3-(7-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-6-yl)propanoic acid

3-(7-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-6-yl)propanoic acid

C18H22O10 (398.1213)


   

(2s,3r,4s,5s,6r)-2-{[(1r,5r,6s,7r,8s,9s)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(1r,5r,6s,7r,8s,9s)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H23ClO10 (398.098)


   

(3ar,4s,6ar,8s,9s,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoate

(3ar,4s,6ar,8s,9s,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoate

C19H23ClO7 (398.1132)


   

6-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-5-methoxy-3-methylisochromen-1-one

6-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-5-methoxy-3-methylisochromen-1-one

C18H22O10 (398.1213)


   

3-(7-methoxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

3-(7-methoxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1213)


   

(2s,3s,6r,8r)-4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,9,11(15),12-pentaen-16-one

(2s,3s,6r,8r)-4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,9,11(15),12-pentaen-16-one

C21H19ClN2O2S (398.0856)