Exact Mass: 603.1450968
Exact Mass Matches: 603.1450968
Found 21 metabolites which its exact mass value is equals to given mass value 603.1450968
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(Z)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid
5-Carboxypyranocyanidin 3-O-(6'-O-malonyl-beta-glucopyranoside)
5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. 5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) can be found in garden onion, which makes 5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) a potential biomarker for the consumption of this food product.
5-Carboxypyranocyanidin 3-O-(6-O-malonyl-beta-glucopyranoside)
SSR126768
CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9674; ORIGINAL_PRECURSOR_SCAN_NO 9672 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9690; ORIGINAL_PRECURSOR_SCAN_NO 9685 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9723; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9735; ORIGINAL_PRECURSOR_SCAN_NO 9730 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9704; ORIGINAL_PRECURSOR_SCAN_NO 9702 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9749; ORIGINAL_PRECURSOR_SCAN_NO 9744
5-Carboxypyranocyanidin 3-O-(6-O-malonyl-beta-glucopyranoside)
Petesicatib
C25H23F6N5O4S (603.1374870000001)
D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Atogepant
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Tropifexor
C26170 - Protective Agent > C2081 - Hepatoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism
1-[2-[4-[(4-Methoxyphenyl)-oxomethoxy]phenyl]ethyl]-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-5-benzimidazolecarboxylic acid
C32H24F3N3O6 (603.1617120000001)
3-chloro-2-[(3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide
5-Carboxypyranocyanidin 3-O-(6-O-malonyl-beta-glucopyranoside
1-[[2-(4-chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid
3alpha,17alpha-dihydroxy-5beta-androstane-11-one-17beta-carboxylate 3-O-(3-sulfo-beta-D-glucuronate)
2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-naphthalen-1-ylacetamide
3-carboxy-6-{[(2r,3r,4s,5s,6s)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-(3,4-dihydroxyphenyl)-11-hydroxy-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium
5-carboxypyranocyanidin-3-o-(6''-o-malonyl-β-glucopyranoside)
{"Ingredient_id": "HBIN011489","Ingredient_name": "5-carboxypyranocyanidin-3-o-(6''-o-malonyl-\u03b2-glucopyranoside)","Alias": "NA","Ingredient_formula": "C27H23O16+","Ingredient_Smile": "C1=CC(=C(C=C1C2=[O+]C3=CC(=CC4=C3C(=C2OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)C=C(O4)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3183","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}