Exact Mass: 382.2359
Exact Mass Matches: 382.2359
Found 143 metabolites which its exact mass value is equals to given mass value 382.2359,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Pyrvinium
Pyrvinium, also known as molevac or pyrcon, belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. Pyrvinium is considered to be a practically insoluble (in water) and relatively neutral molecule. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
Stemphyloxin I
An octahydronaphthalene that is 2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one which is substituted by hydroxy groups at positions 2 and 7, a (2R)-1-hydroxybutan-2-yl group at position 3, and a (2Z)-3-hydroxyprop-2-enoyl group at position 4 (the 2S,3R,4R,4aS,5R,7R,8aS stereoisomer). Isolated from the endophytic fungus Stemphylium botryosum, it is the causal agent of leaf spot and foliage blight disease in tomatoes. Its phytotoxcity is at least 200 times greater than that of stemphyloxin II. It shows high affinity for Fe(3+) (but not Fe(2+)) ions.
(+)-protopraesorediosic acid|(2R,3S)-Protopraesorediosic acid
1-Acetoxyprotolichesteric acid|13-acetoxyprotolichesterinic acid
17(S),20(R)-pregn-5-ene-3beta,11alpha,12beta,14beta,19,20-hexol|volubilol
3-carboxy-5-(carboxymethyl)-4-tetradecyl-1-oxacyclopent-3-en-2-one
(3alpha,5beta,6alpha,11beta,17alphaOH)-3,6,11,17,21-Pentahydroxypregnan-20-one
8alpha-methoxyl-14-deoxy-17beta-hydroxyandrographolide
methyl 6beta,7beta,16beta,17-tetrahydroxy-ent-kauran-18-oate
(4S*,5S*,7R*)-1,4-dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
(2R*,5S*,10S*)-6,10-dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
(2R*,5S*,10S*)-10-methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
stemphyloxin II
A carbotricyclic compound that is betaenone A in which the butan-2-yl side-chain has been hydroxylated at position 1. A phytotoxin isolated from the endophytic fungus Stemphylium botryosum, it shows high affinity for ferric (but not ferrous) ions.
3beta,5beta,6beta,14beta,16alpha-pentahydroxy-2beta-methoxygrayan-10(20)-ene|rhodomolin A
1beta,3alpha,17alpha,20beta,21-Pentahydroxy-5beta-pregnan-11-on
Peramivir Trihydrate
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based: Match]
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000847252]
(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3281; ORIGINAL_PRECURSOR_SCAN_NO 3279 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3258; ORIGINAL_PRECURSOR_SCAN_NO 3255 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3250; ORIGINAL_PRECURSOR_SCAN_NO 3246 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3264; ORIGINAL_PRECURSOR_SCAN_NO 3262 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3249; ORIGINAL_PRECURSOR_SCAN_NO 3247 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3253; ORIGINAL_PRECURSOR_SCAN_NO 3251 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7067; ORIGINAL_PRECURSOR_SCAN_NO 7062 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7115; ORIGINAL_PRECURSOR_SCAN_NO 7111 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7096; ORIGINAL_PRECURSOR_SCAN_NO 7094 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7108; ORIGINAL_PRECURSOR_SCAN_NO 7105 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7115 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7119; ORIGINAL_PRECURSOR_SCAN_NO 7117
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate_major
Bis[2-(3,4-epoxycyclohexyl)ethyl] tetramethyldisiloxane
N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-3-((1R)-1-(hydroxymethyl)propyl)-4-((2Z)-3-hydroxy-1-oxo-2-propenyl)-2,4,5,7-tetramethyl-, (2S,3R,4R,4aS,5R,7R,8aS)-rel-
3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]propanamide
rel-(4S,5S,7R)-1,4-Dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
A natural product found in Carthamus oxyacantha.
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
A natural product found in Carthamus oxyacantha.
rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
A natural product found in Carthamus oxyacantha.
(1s,2r,4r,6r,7s,8r,10z,11r,12r)-1,4,11-trihydroxy-12-[(2s)-1-hydroxybutan-2-yl]-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
2,7-dihydroxy-3-(1-hydroxybutan-2-yl)-4-(3-hydroxyprop-2-enoyl)-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(1s,3as,3br,7s,9as,9bs,10s,11s,11as)-1-[(1r)-1-hydroxyethyl]-9a-(hydroxymethyl)-11a-methyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,7,10,11-tetrol
1,4,11-trihydroxy-12-(1-hydroxybutan-2-yl)-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
methyl (1r,2r,3s,4s,5s,9s,10s,13r,14s)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
1-(1-hydroxyethyl)-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,3b,7,11-pentol
methyl (2e)-4-[(1r,2s,3s,4ar,6s,8ar)-3,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]-2-(2-hydroxyethyl)but-2-enoate
(2s,3r,4s,4as,5r,7r,8as)-2,7-dihydroxy-3-[(2r)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(2s,3r,4r,4as,5r,7r,8as)-2,7-dihydroxy-3-[(2r)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(2s,5r)-5-hydroxy-2-[(5e,9r)-2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
(1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,3b,7,10,11-pentol
3,6,11,17,21-pentahydroxypregnan-20-one
{"Ingredient_id": "HBIN007684","Ingredient_name": "3,6,11,17,21-pentahydroxypregnan-20-one","Alias": "NA","Ingredient_formula": "C21H34O6","Ingredient_Smile": "CC12CCC(CC1C(CC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O)O","Ingredient_weight": "382.49","OB_score": "NA","CAS_id": "67010-77-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8248","PubChem_id": "194242","DrugBank_id": "NA"}
