Exact Mass: 382.2328
Exact Mass Matches: 382.2328
Found 500 metabolites which its exact mass value is equals to given mass value 382.2328
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al a potential biomarker for the consumption of these food products. (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al a potential biomarker for the consumption of these food products.
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al can be found in a number of food items such as yellow wax bean, green bean, chia, and pepper (c. pubescens), which makes (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al a potential biomarker for the consumption of these food products. (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al can be found in a number of food items such as yellow wax bean, green bean, chia, and pepper (c. pubescens), which makes (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al a potential biomarker for the consumption of these food products.
Farnesiferol A
Constituent of Ferula assa-foetida (asafoetida) and other Ferula subspecies Farnesiferol A is found in herbs and spices and green vegetables. Gummosin is found in herbs and spices. Gummosin is from Ferula gummosa (galbanum).
1-tetradecanoyl-sn-glycero-3-phosphate
1-tetradecanoyl-sn-glycero-3-phosphate is also known as 1-Myristoyl lysophosphatidic acid or (2R)-2-Hydroxy-3-(phosphonooxy)propyl myristate. 1-tetradecanoyl-sn-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-tetradecanoyl-sn-glycero-3-phosphate is a glycerophosphate lipid molecule
Gancaonin R
Gancaonin R is found in herbs and spices. Gancaonin R is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin R is found in herbs and spices.
Apo-12'-violaxanthal
Apo-12-violaxanthal is found in fruits. Apo-12-violaxanthal is isolated from plums Prunus domestic Isolated from plums Prunus domestica. Apo-12-violaxanthal is found in fruits.
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
(3beta,5alpha,9xi,10beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3beta,5alpha,9xi,10beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3a,5a,9x,10b)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices.
Farnesiferol B
Farnesiferol B is found in green vegetables. Farnesiferol B is a constituent of Ferula assa-foetida (asafoetida)
Assafoetidin
Constituent of Ferula assa-foetida (asafoetida). Assafoetidin is found in herbs and spices and green vegetables. Assafoetidin is found in green vegetables. Assafoetidin is a constituent of Ferula assa-foetida (asafoetida).
(-)-Farnesiferol C
(-)-Farnesiferol C is found in green vegetables. (-)-Farnesiferol C is a constituent of Ferula assa-foetida (asafoetida)
Foetidin
Constituent of the roots of Ferula assa-foetida (asafoetida). Foetidin is found in herbs and spices and green vegetables. Foetidin is found in green vegetables. Foetidin is a constituent of the roots of Ferula assa-foetida (asafoetida).
LysoPA(i-14:0/0:0)
LysoPA(i-14:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(i-14:0/0:0), in particular, consists of one chain of isotetradecanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
serofendic acid
Levonorgestrel butyrate
Apo-12'-capsorubinal
Apo-12-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12-capsorubinal a potential biomarker for the consumption of these food products.
Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
[1R-(1R*,2S*,6S*,9S*)]-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-2,6-diol 6-acetate 2-benzoate
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.
3-Hydroxy-5-methyl-2-[8-oxo-farnesyl]-coumaran-3-one
[1R-[1alpha(E),2alpha,4abeta,5beta]]-1,2,3,4,4a,5,6,7-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-7-oxo-1-naphthalenyl ester 3-phenyl-2-propenoic acid
(Z)-3,8-Dihydro-6,6;7,3??-diligustilide|3,8-Dihydro-6,6:7,3a-diliguetilide
(+)-protopraesorediosic acid|(2R,3S)-Protopraesorediosic acid
1-Acetoxyprotolichesteric acid|13-acetoxyprotolichesterinic acid
3-anhydro-ophiobolin A|3-anhydroorphiobolin A|ophiobolin I
17(S),20(R)-pregn-5-ene-3beta,11alpha,12beta,14beta,19,20-hexol|volubilol
2,3-Dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
3beta-hydroxy-6beta-cynnamoyloxy-eudesm-4-en-1-one
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
13-Phenylacetoxy-lupanin|phenyl-acetic acid 11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester
baigene B|rel-(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,3-dihydro-8-hydroxy-2,3-dimethyl-4H-furo[2,3-b][1]benzopyran-4-one
8alpha-methoxyl-14-deoxy-17beta-hydroxyandrographolide
methyl 6beta,7beta,16beta,17-tetrahydroxy-ent-kauran-18-oate
3-hydroxymethyl-1-methyl-aspidofractinine-3-carboxylic acid methyl ester|Pleiocarpolinin
(+)-pyrifoline|1-acetyl-6,17-dimethoxy-aspidofractinine|Pyrifolin
methyl (20R,22E)-3-oxochola-1,4,22-trien-24-oate|methyl 3-oxochola-1,4,22-trien-24-oate
Estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate
6alpha-(4-O-methyl-7E-coumaryloxy)eudesm-4(14)-ene
(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.
7-{[(1S,4aS,6S,8aR)-6-hydroxy-1,2,5,5-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one|fnarthexol
2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-3-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
17-hydroxy-3,20-dimethyl-yohimbane-16-carboxylic acid methyl ester
3beta,5beta,6beta,14beta,16alpha-pentahydroxy-2beta-methoxygrayan-10(20)-ene|rhodomolin A
1beta,3alpha,17alpha,20beta,21-Pentahydroxy-5beta-pregnan-11-on
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al
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-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]
(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]
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [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]
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848947]
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]
(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
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one_major
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one_56.3\\%
Ala Pro Pro Val
Ala Pro Val Pro
Ala Val Pro Pro
Gly Ile Pro Pro
Gly Leu Pro Pro
Gly Pro Ile Pro
Gly Pro Leu Pro
Gly Pro Pro Ile
Gly Pro Pro Leu
Ile Gly Pro Pro
Ile Pro Gly Pro
Ile Pro Pro Gly
Leu Gly Pro Pro
Leu Pro Gly Pro
Leu Pro Pro Gly
Pro Ala Pro Val
Pro Ala Val Pro
Pro Gly Ile Pro
Pro Gly Leu Pro
Pro Gly Pro Ile
Pro Gly Pro Leu
Pro Ile Gly Pro
Pro Ile Pro Gly
Pro Leu Gly Pro
Pro Leu Pro Gly
Pro Pro Ala Val
Pro Pro Gly Ile
Pro Pro Gly Leu
Pro Pro Ile Gly
Pro Pro Leu Gly
Pro Pro Val Ala
Pro Val Ala Pro
Pro Val Pro Ala
Val Ala Pro Pro
Val Pro Ala Pro
Val Pro Pro Ala
Mogoltadin
Farnesiferol C
Assafoetidin
Apo-12'-violaxanthal
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate
TRANS,TRANS-3,4,5-TRIFLUOROPHENYL 4-PROPYLBICYCLOHEXYL-4-CARBOXYLATE
Bis[2-(3,4-epoxycyclohexyl)ethyl] tetramethyldisiloxane
1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
(2E,4E,6E,8E)-BUTYL 9-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENOATE
((4-((4-ETHYNYLPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIISOPROPYLSILANE
(1S,2S,5R)-Methyl 3-((S)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
1-Ethoxy-2,3-difluoro-4-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]benzene
1,1-Biphenyl, 4-[(trans,trans)-4-ethyl[1,1-bicyclohexyl]-4-yl]-3,4-difluoro-
4-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)propoxy)-3-fluorophenylboronic acid
trans-4-Propylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] acetate
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1-benzopyran-2-one
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-
5,18-Dihydroxy-1,4,8,12,16,16-hexamethyltetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),3,5,8-tetraen-10-one
Apo-12'-capsorubinal
Apo-12-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12-capsorubinal a potential biomarker for the consumption of these food products.
(3E,5E,7E,9E,11E,13E)-14-[(1R,4R)-4-hydroxy-2,2-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,8,12-trimethyltetradeca-3,5,7,9,11,13-hexaenal
[3-carboxy-2-[(6E,9E,12E)-3-hydroxytetradeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
Ala-Val-Pro-Pro
A tetrapeptide composed of L-alanine, L-valine, and two L-proline units joined in sequence by peptide linkages.
4-[[(1R,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]propanamide
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
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.
N-(2-hydroxypropyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide
2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
2-[(2R,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
[(8R,9S,10S)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2R,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
[(8R,9R,10S)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
N-[2-(2-aminoethoxy)ethyl]-4-(2-hydroxy-4-phenylcyclohexyl)benzamide
(2-Acetamido-3-hydroxynonyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(propanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
2-(2-Ethoxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol benzoate
1-Myristoyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate having myristoyl (tetradecanoyl) as the 1-O-acyl group.
C25-Allenic-apo-aldehyde
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one
C25-epoxy-apo-aldehyde
lysophosphatidic acid 14:0
A lysophosphatidic acid in which the acyl group (position not specified) contains 14 carbons and no double bonds.
14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 2-phenylacetate
(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
4-hydroxy-3-[(2e,6e)-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]chromen-2-one
1,4,11-trihydroxy-12-(1-hydroxybutan-2-yl)-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
15-hydroxy-5-methyl-6-[2-methyl-3-(prop-1-en-1-yl)oxiran-2-yl]tetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
(1r,3s,4r,7r,8e,11r,12e)-4-hydroxy-1,4-dimethyl-12-[(3e)-6-methylhepta-3,5-dien-2-ylidene]-6-oxotricyclo[9.3.0.0³,⁷]tetradec-8-ene-8-carbaldehyde
4-hydroxy-3-[(2e,6e,10e)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]chromen-2-one
7-{[(1r,4as,6r,8as)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
(1s,5s,9r,11r)-14-[(2s)-7-hydroxy-6-methylhept-5-en-2-yl]-4-(hydroxymethyl)-8,11-dimethyltetracyclo[9.3.0.0¹,⁵.0⁵,⁹]tetradeca-3,7,13-trien-6-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
7-{[(1r,4as,6r,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
4-{2-[5-hydroxy-2-(3-methylbut-2-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]phenyl]ethyl}benzene-1,2-diol
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
n-(1-{[2-(1h-indol-3-yl)acetyl]oxy}-4-methylpentan-2-yl)-2-methylhexa-2,4-dienimidic acid
3-{[2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-5-methyl-4-(3-methylbut-2-en-1-yl)phenol
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
(1r,2s,4as,5s)-5-hydroxy-2-isopropyl-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-1-yl (2e)-3-phenylprop-2-enoate
7-{[(2e)-3-methyl-5-[(1r,2s,6s)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]oxy}chromen-2-one
(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
(1's,2s,3s,3'r,5r,7'r,11's)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
(2s,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
7-{[(1s,6s,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-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
7-{[(2e)-5-[(1s,5r)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
(2s)-2-hydroxy-4-methyl-2-[(2e,6e)-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl]-1-benzofuran-3-one
(1s,2s,4s,9s,10r)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 2-phenylacetate
4-hydroxy-1,4,13-trimethyl-15-(2-methylprop-1-en-1-yl)-16-oxatetracyclo[9.7.0.0³,⁷.0¹²,¹⁷]octadeca-8,11,17-triene-8-carbaldehyde
2,3-dihydro-7-hydroxy-2r*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004002","Ingredient_name": "2,3-dihydro-7-hydroxy-2r*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[2,3-b]chromone
{"Ingredient_id": "HBIN004006","Ingredient_name": "2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[2,3-b]chromone","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1C2=C(OC3=C(C2=O)C=CC(=C3)O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5626","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004007","Ingredient_name": "2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
α,α'-dihydro-3,5,3',4'-tetrahydroxy-4,5'-diiso-pentenylstilbene
{"Ingredient_id": "HBIN015346","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,3',4'-tetrahydroxy-4,5'-diiso-pentenylstilbene","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
badrakemin
{"Ingredient_id": "HBIN017505","Ingredient_name": "badrakemin","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2096","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}