Exact Mass: 376.1376
Exact Mass Matches: 376.1376
Found 292 metabolites which its exact mass value is equals to given mass value 376.1376,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Loganic_acid
Loganic acid is a cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively It has a role as a plant metabolite. It is a cyclopentapyran, an alpha,beta-unsaturated monocarboxylic acid and a glucoside. It is a conjugate acid of a loganate. Loganic acid is a natural product found in Strychnos axillaris, Strychnos cocculoides, and other organisms with data available. A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively KEIO_ID L043 Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2]. Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2].
Riboflavin (Vitamin B2)
Riboflavin or vitamin B2 is an easily absorbed, water-soluble micronutrient with a key role in maintaining human health. Like the other B vitamins, it supports energy production by aiding in the metabolizing of fats, carbohydrates, and proteins. Vitamin B2 is also required for red blood cell formation and respiration, antibody production, and for regulating human growth and reproduction. It is essential for healthy skin, nails, hair growth and general good health, including regulating thyroid activity. Riboflavin is found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables. Riboflavin is yellow or orange-yellow in color and in addition to being used as a food coloring it is also used to fortify some foods. It can be found in baby foods, breakfast cereals, sauces, processed cheese, fruit drinks and vitamin-enriched milk products. The richest natural source is yeast. It occurs in the free form only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin adenine dinucleotide. Riboflavin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=83-88-5 (retrieved 2024-07-01) (CAS RN: 83-88-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient. Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient.
Propiomazine hydrochloride
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(1x,2x)-Guaiacylglycerol 2-glucoside
(1x,2x)-Guaiacylglycerol 2-glucoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
(1x,2x)-Guaiacylglycerol 3-glucoside
(1x,2x)-Guaiacylglycerol 3-glucoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Cinnatriacetin A
Cinnatriacetin B is found in mushrooms. Cinnatriacetin B is produced by Fistulina hepatica (beefsteak fungus). Production by Fistulina hepatica (beefsteak fungus). Cinnatriacetin A is found in mushrooms.
(1RS,2RS)-Guaiacylglycerol 1-glucoside
(1RS,2RS)-Guaiacylglycerol 1-glucoside is isolated from Pinus sylvestris (Scotch pine) needles. Isolated from Pinus sylvestris (Scotch pine) needles.
8-Epiloganic acid
Ethinyl estradiol sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Lactacystin
SN-22
7-ethylcamptothecin is a pyranoindolizinoquinoline. 7-Ethylcamptothecin is one of camptothecin analogues. camptothecin (CPT), a cytotoxic alkaloid isolated from Camptotheca acuminata, is shown to have strong antitumor activity against L1210 leukemia and Walker 256 carcinosarcoma models[1]. 7-Ethylcamptothecin is one of camptothecin analogues. camptothecin (CPT), a cytotoxic alkaloid isolated from Camptotheca acuminata, is shown to have strong antitumor activity against L1210 leukemia and Walker 256 carcinosarcoma models[1].
8-epiloganic acid
8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1]. 8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1].
2,4-dihydroxy-3-(2-hydroxybenzyl)-6-methoxychalcone
Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Et ester, tetra-Ac
1-(3-methoxy-4-hydroxybenzyl)-4-methoxyphenanthrene-2,7-diol
(4R,5R,6R)-5-[(beta-D-glucopyranosyloxy)methyl]-4,5,6,8-tetrahydro-4-hydroxy-6-methyl-1H,3H-pyrano[3,4-c]pyran-1-one|swertiajaposide F
8-Debenzoylpaeoniflorin
8-Debenzoylpaeoniflorin is a natural product found in Ducrosia anethifolia, Paeonia lactiflora, and Paeonia suffruticosa with data available.
Bleformin A
Bleformin A is a natural product found in Bletilla formosana with data available.
Loganic acid
8-Epiloganic acid is a natural product found in Plantago atrata, Lonicera japonica, and other organisms with data available. 8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1]. 8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1]. Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2]. Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2].
Riboflavin
D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins S - Sensory organs > S01 - Ophthalmologicals D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.581 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.582 Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient. Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient.
(E)-1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
(E)-1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one
Lyxoflavin
Origin: Animal; SubCategory_DNP: Pteridines and analogues, Pteridine alkaloids, Flavins
bisphenol a (3-chloro-2-hydroxypropyl) g
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5811
PharmaGSID_48507
CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4372; ORIGINAL_PRECURSOR_SCAN_NO 4370 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4374; ORIGINAL_PRECURSOR_SCAN_NO 4369 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4392; ORIGINAL_PRECURSOR_SCAN_NO 4391 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4384; ORIGINAL_PRECURSOR_SCAN_NO 4383 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4473; ORIGINAL_PRECURSOR_SCAN_NO 4468 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4371; ORIGINAL_PRECURSOR_SCAN_NO 4369 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8679; ORIGINAL_PRECURSOR_SCAN_NO 8678 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8703; ORIGINAL_PRECURSOR_SCAN_NO 8701 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8723; ORIGINAL_PRECURSOR_SCAN_NO 8722 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8726; ORIGINAL_PRECURSOR_SCAN_NO 8722 INTERNAL_ID 225; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8726; ORIGINAL_PRECURSOR_SCAN_NO 8722 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8707; ORIGINAL_PRECURSOR_SCAN_NO 8705 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8741; ORIGINAL_PRECURSOR_SCAN_NO 8739
Ala Cys Pro Ser
Ala Cys Ser Pro
Ala Pro Cys Ser
Ala Pro Ser Cys
Ala Ser Cys Pro
Ala Ser Pro Cys
Cys Ala Pro Ser
Cys Ala Ser Pro
Cys Gly Pro Thr
Cys Gly Thr Pro
Cys Pro Ala Ser
Cys Pro Gly Thr
Cys Pro Ser Ala
Cys Pro Thr Gly
Cys Ser Ala Pro
Cys Ser Pro Ala
Cys Thr Gly Pro
Cys Thr Pro Gly
Gly Cys Pro Thr
Gly Cys Thr Pro
Gly Pro Cys Thr
Gly Pro Thr Cys
Gly Thr Cys Pro
Gly Thr Pro Cys
Pro Ala Cys Ser
Pro Ala Ser Cys
Pro Cys Ala Ser
Pro Cys Gly Thr
Pro Cys Ser Ala
Pro Cys Thr Gly
Pro Gly Cys Thr
Pro Gly Thr Cys
Pro Ser Ala Cys
Pro Ser Cys Ala
Pro Thr Cys Gly
Pro Thr Gly Cys
Ser Ala Cys Pro
Ser Ala Pro Cys
Ser Cys Ala Pro
Ser Cys Pro Ala
Ser Pro Ala Cys
Ser Pro Cys Ala
Thr Cys Gly Pro
Thr Cys Pro Gly
Thr Gly Cys Pro
Thr Gly Pro Cys
Thr Pro Cys Gly
Thr Pro Gly Cys
Lactacystin
L-Cysteine substituted at nitrogen by an acetyl group and at sulfur by a substituted-lactam carbonyl group. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
(1RS,2RS)-Guaiacylglycerol 1-glucoside
(1x,2x)-Guaiacylglycerol 2-glucoside
Cinnatriacetin A
(1x,2x)-Guaiacylglycerol 3-glucoside
1,4-Benzenedicarboxylic acid, 1,4-bis(4-amino-2-methylphenyl) ester
1,2-O-(1-Ethoxyethylidene)-beta-D-mannopyranose triacetate
Lucanthone hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent C471 - Enzyme Inhibitor
1,4-Benzenedicarboxylicacid, 2,5-bis[(4-methylphenyl)amino]-
(1S,2S)-(-)-N,N-DIMETHYL-1,2-BIS[3-(TRIFLUOROMETHYL)PHENYL!-1,2-ETHANE DIAMINE
Propionylpromazine hydrochloride
Propionylpromazine hydrochloride (Propiopromazine hydrochloride), a dopamine receptor D2 (DRD2) antagonist, can be used in the research of Parkinson disease[1].
methyl 2-methyl-2-(4-(2-(tosyloxy)ethyl)phenyl)propanoate
FLB 131
Eticlopride hydrochloride, a selective dopamine D2‐like receptor antagonist, exhibits high affinity for dopamine D2, α1‐adrenergic, α2‐adrenergic, 5HT1, 5HT2 receptors with Kis of 0.09, 112, 699, 6220, and 830 nM, respectively. Antipsychotic agent[1].
1,3-bis(2,4,6-trimethylphenyl)-2-chloro-imidazolinium chloride
(1R,2R)-(+)-N,N-DIMETHYL-1,2-BIS[3-(TRIFLUOROMETHYL)PHENYL]- 1, 2-ETHANEDIAMINE
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
7,8-dimethyl-10-((2R,3R,4S)-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione
CINANSERIN HYDROCHLORIDE
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Cinanserin hydrochloride (SQ 10643) is a potent, selective and highly affinity 5-HT2 receptor antagonist with a Ki of 41 nM. Cinanserin hydrochloride has a much higher binding affinity for the 5-HT2 than for the 5-HT1 receptor (Ki of 3500 nM). Cinanserin is also an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro[1][2][3].
2,4-Dihydroxy-3-(2-hydroxy benzyl)-6-methoxy chalcone
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2 and 4, 2-hydroxy benzyl group at position 3 and methoxy group at position 6. It is isolated from the aerial parts of Ellipeiopsis cherrevensis and exhibits antibacterial, antimalarial and antineoplastic activity.
[6-Ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
1-[2,5-Dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
(5r)-N,N-Diethyl-5-Methyl-2-[(Thiophen-2-Ylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
5-(2,4-Difluorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
(1S,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Ethinylestradiol-3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]-N-(2-oxolanylmethyl)acetamide
2-Amino-7-cyclohexyl-6,8-dioxo-4,5,5a,8a-tetrahydrothieno[2,3-e]isoindole-3-carboxylic acid ethyl ester
2-[2-[Bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
1-Azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone
2-(4-Hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester
1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one hydrochloride
7-(benzyloxy)-N-(2-fluoro-5-hydroxy-4-methylphenyl)quinazolin-4-aminium
6-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
TCN 213
TCN 213 is a selective, surmountable, glycine-dependentlly GluN1/GluN2A NMDAR antagonist with IC50s of 0.55, 3.5, 40 μM in the presence of 75, 750, 7500 nM glycine, respectively. TCN 213 can be used to monitor, pharmacologically, the switch in NMDAR expression in developing cortical neurones[1][2].
(1s,4as,5r,7r,7ar)-5-hydroxy-7-methyl-1-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxy]oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
{2-hydroxy-5-oxo-10-phenyl-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-1-yl}methyl benzoate
2-({5,6-dihydroxy-2,7-dimethyl-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
14-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}tetradec-5-en-8,10,12-triynoic acid
1-[(4-hydroxyphenyl)methyl]-4,8-dimethoxyphenanthrene-2,7-diol
4-hydroxy-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-2-one
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{2-methoxy-4-[(1r,2r)-1,2,3-trihydroxypropyl]phenoxy}oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2s,4s,5s,6r,10r)-2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
5-(1-hydroxyethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one
(2s,3r,4s,5s,6r)-2-{[(1s,2s,4r,5r,8r,9s,11r,12r)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.0²,⁴.0⁵,¹²]dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,4s,6s,7s,11s)-7-hydroxy-6-methyl-1-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-2-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{2-methoxy-4-[(1s,2r)-1,2,3-trihydroxypropyl]phenoxy}oxane-3,4,5-triol
(4s,5r,6s)-5-ethenyl-4-(2-hydroxyethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
(2r)-3-[(2r,3s,4r)-3,5-dihydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-3,4-dihydropyrrole-2-carbonylsulfanyl]-2-[(1-hydroxyethylidene)amino]propanoic acid
(1s,4as,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(1'r,2'r)-guaiacyl glycerol 3'-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN003065","Ingredient_name": "(1'r,2'r)-guaiacyl glycerol 3'-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9024","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2'r)-guaiacyl glycerol 4-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN003066","Ingredient_name": "(1'r,2'r)-guaiacyl glycerol 4-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9025","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1's,2'r)-guaiacyl glycerol 3'-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN003219","Ingredient_name": "(1's,2'r)-guaiacyl glycerol 3'-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9026","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α-dihydrocornicacid
{"Ingredient_id": "HBIN012200","Ingredient_name": "6\u03b1-dihydrocornicacid","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5566","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-dihydrocornicacid
{"Ingredient_id": "HBIN012264","Ingredient_name": "6\u03b2-dihydrocornicacid","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5567","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-methylcatalpol
{"Ingredient_id": "HBIN012693","Ingredient_name": "6-O-methylcatalpol","Alias": "6-O-Methyl catalpol; 6-o-methyl catalpol","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1C2C=COC(C2C3(C1O3)CO)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "5.80181665","CAS_id": "NA","SymMap_id": "SMIT09057;SMIT11964;SMIT16556","TCMID_id": "14215","TCMSP_id": "MOL007669;MOL011005","TCM_ID_id": "NA","PubChem_id": "53248734","DrugBank_id": "NA"}
(–)-(7R,8S)-guaiacylglycerol 8-O-β-Dglucopyranoside
{"Ingredient_id": "HBIN013459","Ingredient_name": "(\u2013)-(7R,8S)-guaiacylglycerol 8-O-\u03b2-Dglucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41993","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-debenzoylpaeoniflori
{"Ingredient_id": "HBIN013696","Ingredient_name": "8-debenzoylpaeoniflori","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "NA","Ingredient_weight": "376.36","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7368","PubChem_id": "NA","DrugBank_id": "NA"}
8-diebenzoylpaeoniflorin
{"Ingredient_id": "HBIN013709","Ingredient_name": "8-diebenzoylpaeoniflorin","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)CO)OC5C(C(C(C(O5)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5482","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-10-hydrosweroside
{"Ingredient_id": "HBIN013753","Ingredient_name": "8-hydroxy-10-hydrosweroside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC(C1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102316721","DrugBank_id": "NA"}
9-hydroxysemperoside
{"Ingredient_id": "HBIN014122","Ingredient_name": "9-hydroxysemperoside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC1CC2C3C1(COC(C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15913","TCMID_id": "10697","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101098710","DrugBank_id": "NA"}
Adoxosidic acid
{"Ingredient_id": "HBIN014740","Ingredient_name": "Adoxosidic acid","Alias": "adoxosidicacid","Ingredient_formula": "C16H24O10","Ingredient_Smile": "C1CC2C(C1CO)C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "4.381542211","CAS_id": "NA","SymMap_id": "SMIT05426","TCMID_id": "652","TCMSP_id": "MOL003339","TCM_ID_id": "NA","PubChem_id": "13892717","DrugBank_id": "NA"}
