Exact Mass: 592.3247
Exact Mass Matches: 592.3247
Found 500 metabolites which its exact mass value is equals to given mass value 592.3247
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mesobilirubinogen
Mesobilirubinogen (also known as I-urobilinogen) is a tetrapyrrole chemical compound that is closely related to two other compounds: urobilinogen (also known as D-urobilinogen) and stercobilinogen (also known as L-urobilinogen). Specifically, urobilinogen can be reduced to form mesobilirubinogen, and mesobilirubinogen can be further reduced to form stercobilinogen. Confusingly, all three of these compounds are frequently collectively referred to as "urobilinogens". Urobilinogen is the parent compound of both stercobilin (the pigment that is responsible for the brown colour of feces) and urobilin (the pigment that is responsible for the yellow colour of urine). Urobilinogen is formed through the microbial degradation of its parent compound bilirubin. Urobilinogen is actually generated through the degradation of heme, the red pigment in hemoglobin and red blood cells (RBCs). RBCs have a life span of about 120 days. When the RBCs have reached the end of their useful lifespan, the cells are engulfed by macrophages and their constituents recycled or disposed of. Heme is broken down when the heme ring is opened by the enzyme known as heme oxygenase, which is found in the endoplasmic reticulum of the macrophages. The oxidation process produces the linear tetrapyrrole known as biliverdin along with ferric iron (Fe3+), and carbon monoxide (CO). In the next reaction, a second methylene group (located between rings III and IV of the porphyrin ring) is reduced by the enzyme known as biliverdin reductase, producing bilirubin. Bilirubin is significantly less extensively conjugated than biliverdin. This reduction causes a change in the colour of the biliverdin molecule from blue-green (vert or verd for green) to yellow-red, which is the colour of bilirubin (ruby or rubi for red). In plasma, virtually all the bilirubin is tightly bound to plasma proteins, largely albumin, because it is only sparingly soluble in aqueous solutions at physiological pH. In the sinusoids, unconjugated bilirubin dissociates from albumin, enters the liver cells across the cell membrane through non-ionic diffusion to the smooth endoplasmatic reticulum. In hepatocytes, bilirubin-UDP-glucuronyltransferase (bilirubin-UGT) adds 2 additional glucuronic acid molecules to bilirubin to produce the more water-soluble version of the molecule known as bilirubin diglucuronide. The bilirubin diglucuronide is transferred rapidly across the canalicular membrane into the bile canaliculi where it is then excreted as bile into the large intestine. The bilirubin is further degraded (reduced) by microbes present in the large intestine to form a colourless product known as urobilinogen. Urobilinogen that remains in the colon can either be reduced to stercobilinogen and finally oxidized to stercobilin, or it can be directly reduced to stercobilin. Some of the urobilinogen produced by the gut bacteria is reabsorbed and re-enters the enterohepatic circulation. This reabsorbed urobilinogen is oxidized and converted to urobilin. The urobilin is processed through the kidneys and then excreted in the urine, which causes the yellowish colour in urine. Urobilinogen is an uribiniloid, the product of bilirubin reduction in multiple sequential reactions. Urobilinogens are colorless chromogens that may in turn be oxidized to respective yellow oxidation products, urobilins. Under normal conditions only small amounts of bilirubin can be found in stools of adults while urobilinoids are predominant bile pigments (50-250 mg/day). Only negligible amounts of fecal urobilinoids are present in the intestinal lumen of infants during the first months of their life, due to undeveloped intestinal microflora capable of reducing bilirubin. This presumably contributes importantly to the pathogenesis of neonatal jaundice. In adults, the urobilinoid production is highly efficient. At times, it is re-excreted in the urine, where it may be later oxidized to urobilin. (PMID: 16504607) [HMDB]
nuatigenin 3-beta-D-glucopyranoside
Debromoaplysiatoxin
A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens
Agavoside A
Agavoside A is found in green vegetables. Agavoside A is from the famine food Agave american From the famine food Agave americana. Agavoside A is found in green vegetables.
1,25-Dihydroxyvitamin D3 monoglucuronide
3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Di-8-ANEPPS
FP-biotin
Hexobendine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Plazomicin
3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-[fucopyranoside-3-O-acetate]
3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-[fucopyranoside-4-O-acetate]
3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-[rhamnopyranoside-4-O-acetate]
7,7,8,8-Tetradehydroastaxanthin
7,8,7,8-Tetradehydroastaxanthin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>
(25S)-5alpha-spirost-20-ene-1beta,3alpha-diol 3-O-beta-D-glucopyranoside
3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide
Neritaloside
Neritaloside is a natural product found in Mandevilla pentlandiana and Nerium oleander with data available.
Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]
2-{[5,7-dihydroxy-2,2-dimethyl-6-butanoyl-8-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin F
11,19-Di-Ac-Stigmasta-7,22-diene-2,3,5,6,9,11,19-heptol
15alpha-hydroxyfoetidinol-3-O-beta-xyloside|cimicifugoside H-6
3,3-dihydroxy-2,3,2,3-tetradehydro-beta,beta-carotene-4,4-dione|astacene|Astacin|Astacin; 3.4.3.4-Tetraketo-beta-carotin|beta,beta-carotene-3,4,3,4-tetraone|Dienon-Astacin
floribundasaponin A|pennogenin 3-O-beta-D-glucopyranoside|pennogenin-3-O-beta-D-glucopyranoside|penogenin 3-O-beta-D-glucopyranoside
(25R)-spirost-5-en-3beta,7alpha-diol-3-O-beta-D-glucopyranoside|chonglouoside SL-1
26-Sulfate-(3beta,5alpha,6beta,15alpha,16beta,24R,25R)-Stigmastane-3,5,6,15,16,25,26-heptol
25R Delta5-spirostan-1beta,3beta-diol 1-O-beta-D-galactopyranoside
5alpha-spirost-25(27)-ene-1beta,3alpha-diol 3-O-beta-D-glucopyranoside
2-{[5,7-dihydroxy-2,2-dimethyl-8-butanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin A
25(R)-1beta-hydroxy-spirost-5-en-3alpha-yl O-beta-D-glucopyranoside
1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran
all-trans-beta-carotenetetron-(3.4.3.4)|all-trans-beta-Carotintetron-(3.4.3.4)|astacin|Astacin, 3,4,3,4-Tetraoxo-beta-carotin
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate
[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]
[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848201]
[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848200]
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid [IIN-based: Match]
UROBILINOGEN
A member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin.
Asp Phe Arg Arg
Asp Arg Phe Arg
Asp Arg Arg Phe
Phe Asp Arg Arg
Phe Ile Lys Trp
Phe Ile Gln Trp
Phe Ile Trp Lys
Phe Ile Trp Gln
Phe Lys Ile Trp
Phe Lys Leu Trp
Phe Lys Trp Ile
Phe Lys Trp Leu
Phe Leu Lys Trp
Phe Leu Gln Trp
Phe Leu Trp Lys
Phe Leu Trp Gln
Phe Gln Ile Trp
Phe Gln Leu Trp
Phe Gln Trp Ile
Phe Gln Trp Leu
Phe Arg Asp Arg
Phe Arg Arg Asp
Phe Trp Ile Lys
Phe Trp Ile Gln
Phe Trp Lys Ile
Phe Trp Lys Leu
Phe Trp Leu Lys
Phe Trp Leu Gln
Phe Trp Gln Ile
Phe Trp Gln Leu
Ile Phe Lys Trp
Ile Phe Gln Trp
Ile Phe Trp Lys
Ile Phe Trp Gln
Ile Lys Phe Trp
Ile Lys Trp Phe
Ile Gln Phe Trp
Ile Gln Trp Phe
Ile Trp Phe Lys
Ile Trp Phe Gln
Ile Trp Lys Phe
Ile Trp Gln Phe
Lys Phe Ile Trp
Lys Phe Leu Trp
Lys Phe Trp Ile
Lys Phe Trp Leu
Lys Ile Phe Trp
Lys Ile Trp Phe
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Lys Leu Trp Phe
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Lys Tyr Trp Pro
Leu Phe Lys Trp
Leu Phe Gln Trp
Leu Phe Trp Lys
Leu Phe Trp Gln
Leu Lys Phe Trp
Leu Lys Trp Phe
Leu Gln Phe Trp
Leu Gln Trp Phe
Leu Trp Phe Lys
Leu Trp Phe Gln
Leu Trp Lys Phe
Leu Trp Gln Phe
Met Met Arg Arg
Met Arg Met Arg
Met Arg Arg Met
Met Arg Thr Trp
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Met Trp Arg Thr
Met Trp Thr Arg
Pro Lys Trp Tyr
Pro Lys Tyr Trp
Pro Trp Lys Tyr
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Pro Tyr Lys Trp
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Gln Phe Ile Trp
Gln Phe Leu Trp
Gln Phe Trp Ile
Gln Phe Trp Leu
Gln Ile Phe Trp
Gln Ile Trp Phe
Gln Leu Phe Trp
Gln Leu Trp Phe
Gln Trp Phe Ile
Gln Trp Phe Leu
Gln Trp Ile Phe
Gln Trp Leu Phe
Arg Asp Phe Arg
Arg Asp Arg Phe
Arg Phe Asp Arg
Arg Phe Arg Asp
Arg Met Met Arg
Arg Met Arg Met
Arg Met Thr Trp
Arg Met Trp Thr
Arg Arg Asp Phe
Arg Arg Phe Asp
Arg Arg Met Met
Arg Arg Val Tyr
Arg Arg Tyr Val
Arg Thr Met Trp
Arg Thr Trp Met
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Arg Val Tyr Arg
Arg Trp Met Thr
Arg Trp Thr Met
Arg Tyr Arg Val
Arg Tyr Val Arg
Thr Met Arg Trp
Thr Met Trp Arg
Thr Arg Met Trp
Thr Arg Trp Met
Thr Trp Met Arg
Thr Trp Arg Met
Val Arg Arg Tyr
Val Arg Tyr Arg
Val Tyr Arg Arg
Trp Phe Ile Lys
Trp Phe Ile Gln
Trp Phe Lys Ile
Trp Phe Lys Leu
Trp Phe Leu Lys
Trp Phe Leu Gln
Trp Phe Gln Ile
Trp Phe Gln Leu
Trp Ile Phe Lys
Trp Ile Phe Gln
Trp Ile Lys Phe
Trp Ile Gln Phe
Trp Lys Phe Ile
Trp Lys Phe Leu
Trp Lys Ile Phe
Trp Lys Leu Phe
Trp Lys Pro Tyr
Trp Lys Tyr Pro
Trp Leu Phe Lys
Trp Leu Phe Gln
Trp Leu Lys Phe
Trp Leu Gln Phe
Trp Met Arg Thr
Trp Met Thr Arg
Trp Pro Lys Tyr
Trp Pro Tyr Lys
Trp Gln Phe Ile
Trp Gln Phe Leu
Trp Gln Ile Phe
Trp Gln Leu Phe
Trp Arg Met Thr
Trp Arg Thr Met
Trp Thr Met Arg
Trp Thr Arg Met
Trp Tyr Lys Pro
Trp Tyr Pro Lys
Tyr Lys Pro Trp
Tyr Lys Trp Pro
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Tyr Trp Lys Pro
Tyr Trp Pro Lys
ST 27:3;O4;Hex
ST 27:2;O3;GlcA
benzene-1,3-dicarboxylic acid,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,2,2,4-trimethylpentane-1,3-diol
25,26,27,28-Tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
25,26,27,28-tetrahydroxy-5,11,17,23-tetrakis(1-methylethyl)calix<4>arene
4-Methylumbelliferyl 6-thio-Palmitate-β-D-Glucopyranoside
Plazomicin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Ulimorelin hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism
Di-8-ANEPPS
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(6R)-6-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-2-methylheptan-2-yl beta-D-glucopyranosiduronic acid
hexobendine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
17-Debromoaplysiatoxin
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens
6-[(3Z)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5,6-tetrahydroxyoxane-2-carboperoxoic acid
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
floribundasaponin A
A spirostanyl glycoside that is pennogenin attached to a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the stem bark of Dracaena mannii, it exhibits anti-inflammatory activity.
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (13Z,16Z)-tetracosa-13,16-dienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate
(E)-N-[(2E,6E,8E)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide
agavoside A
A steroid saponin that consists of (25R)-5alpha-spirostan-3beta-ol substituted by an oxo group at position 12 and a beta-D-galactopyranosyl moiety at position 3 via a glycosidic linkage.
calcitriol 25-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is calcitriol in which the hydroxy hydrogen at position 25 has been replaced by a beta-D-glucuronyl residue.
(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
2-hydroxy-4-[12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-4-yl]-3-isopropyl-7-methyl-8-(4-methylpent-3-en-1-yl)-4h-naphthalen-1-one
3-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate
n-[(1r,2r,4s,9r,10s,11r,13s,14r,16s,17r,18s)-16-(acetyloxy)-10-[(1s)-1-(dimethylamino)ethyl]-11-hydroxy-9,13,18-trimethyl-3,20-dioxahexacyclo[16.2.1.0²,⁴.0⁴,¹⁷.0⁶,¹⁴.0⁹,¹³]henicos-6-en-21-yl]benzenecarboximidic acid
(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(2e)-n-[(2e,6z,8z)-11-{4-[(2s)-2-[(3s,4r)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8-trien-1-yl]-3-methoxy-n-methylbut-2-enamide
6-(furan-3-yl)-16-hydroxy-1,5,10,15-tetramethyl-18-[(2-methylbut-2-enoyl)oxy]-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl 2-methylbut-2-enoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate
(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
4-{4-[2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl}phenol
methyl (3s)-3-[(3s,3as,5ar,6s,7s,9r,9ar)-3-[(3s,5r,6s)-5,6-dihydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-9-hydroxy-3a,6,9a-trimethyl-7-(prop-1-en-2-yl)-2h,3h,4h,5h,5ah,7h,8h,9h-cyclopenta[a]naphthalen-6-yl]-3-(acetyloxy)propanoate
(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate
2-(hydroxymethyl)-6-{5,9',13'-trimethyl-7'-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-14'-oloxy}oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,16's)-5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]oxane-3,4,5-triol
(1r,3as,3br,5ar,7r,9r,9as,9bs,11ar)-7-{[(2r,3r,4r,5r,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
{"Ingredient_id": "HBIN003120","Ingredient_name": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate","Alias": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester","Ingredient_formula": "C31H44O11","Ingredient_Smile": "NA","Ingredient_weight": "592.67","OB_score": "23.87206564","CAS_id": "121449-65-8","SymMap_id": "SMIT09131","TCMID_id": "NA","TCMSP_id": "MOL007754","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha-cinnamoyloxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN011414","Ingredient_name": "5alpha-cinnamoyloxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene","Alias": "5\u03b1-cinnamoyloxy-9\u03b1,10\u03b2,13\u03b1-triacetoxytaxa-4(20),11-diene","Ingredient_formula": "C35H44O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30787;3717","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajugamacrin b
{"Ingredient_id": "HBIN014974","Ingredient_name": "ajugamacrin b","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101370736","DrugBank_id": "NA"}
ajugamarin b2
{"Ingredient_id": "HBIN014977","Ingredient_name": "ajugamarin b2","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)COC(=O)C","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14208","TCMID_id": "803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "180054","DrugBank_id": "NA"}
blepharocalyxin d
{"Ingredient_id": "HBIN018650","Ingredient_name": "blepharocalyxin d","Alias": "NA","Ingredient_formula": "C38H40O6","Ingredient_Smile": "C1C(OC2CC(OC(C2C1C=CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2499","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9985898","DrugBank_id": "NA"}