Exact Mass: 554.2522558000001
Exact Mass Matches: 554.2522558000001
Found 500 metabolites which its exact mass value is equals to given mass value 554.2522558000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bis(N-pantothenylamidoethyl) disulfide
Same as: D01234 Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
D-Pantethine
D-Pantethine, also known as pantetina or pantomin, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Most vitamin B5 supplements are in the form of calcium pantothenate, a salt of pantothenic acid, with doses in the range of 5 to 10 mg/day. Pantethine is available in the United States as a dietary supplement because of evidence of its health benefits for lowering elevated LDL-cholesterol and triglycerides, and raising HDL-cholesterol (the good cholesterol). In contrast, pantethine is sold as a dietary supplement for lowering blood cholesterol and triglycerides at doses of 500 to 1200 mg/day. These clinical trials were conducted with daily intakes ranging from 600 to 1200 mg/day. Pantethine (bis-pantethine or co-enzyme pantethine) is a dimeric form of pantetheine, which is produced from pantothenic acid (vitamin B5) by the addition of cysteamine. D-Pantethine is a drug. Pantetheine is an intermediate in the production of coenzyme A by the body. In multiple clinical trials of patients with elevated cholesterol and triglycerides, total and LDL cholesterol were decreased by an average of 12\\\%, triglycerides decreased by 19\\\%, and HDL cholesterol was increased by 9\\\%. Pantethine is composed of two molecules of pantetheine linked by a bridging disulfide. Most of the literature on pantethine and lipids is 20 to 30 years old, but recent carefully controlled trials of 600 and 900 mg/d doses have shown similar statistically significant lowering of LDL cholesterol in individuals with greatly or moderately elevated levels of blood lipids. A few trials conducted in Japan tested 300 mg/day and reported decreases in total cholesterol of about 4\\\%, increases in HDL-cholesterol of 5\\\% and inconsistent results for triglycerides. Direct dose-response evidence is not available because no trial tested more than one dose. Within this dose range there is no evidence of a dose-effect relationship, i.e. changes in lipid concentrations overlapped across the range of doses. Pantethine (Bis-pantethine) or "Co-enzyme pantethine" is a dimeric form of vitamin B5, composed of two molecules of pantothenic acid linked by cysteamine bridging groups. The monomer of this compound is known as pantetheine and is an intermediate in the production of Coenzyme A by the body. Pantethine is considered the more biologically active form of vitamin B5, but is less stable than pantothenic acid and tends to decompose over time if it is not kept refrigerated, so most vitamin B5 supplements are in the form of calcium pantothenate. [HMDB] A - Alimentary tract and metabolism > A11 - Vitamins Same as: D01234 Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Ssioriside
Ssioriside is found in fruits. Ssioriside is isolated from Prunus padus (bird cherry). Isolated from Prunus padus (bird cherry). Ssioriside is found in fruits.
23-Hydroxyphysalolactone
23-Hydroxyphysalolactone is found in fruits. 23-Hydroxyphysalolactone is a constituent of Physalis peruviana (Cape gooseberry) Constituent of Physalis peruviana (Cape gooseberry). 23-Hydroxyphysalolactone is found in fruits.
Clopenthixol decanoate
C32H43ClN2O2S (554.2733608000001)
(2S)-2-Amino-N-[(1S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
23-Hydroxyphysalolactone
3-hydroxy-5,6-epoxy-beta-ionone 3-O-tetra-O-acetyl-beta-D-glucopyranoside
grasshopper ketone 3-O-tetra-O-acetyl-beta-D-glucopyranoside
3beta-benzoyloxy-5alpha,7beta-diacetoxy-15beta-hydroxyjatropha-6(17),11E-diene-9,14-dione
1-O-methacryl-28-oxosalannic acid methyl ester|3-O-deacetyl-4-demethyl-28-oxosalannin
2,3-diepiingol 7,12-diacetate 8-benzoate|7,12-O-diacetyl-8-O-benxoil-2,3-diepiingol
3,4-dihydro-3-oxo-actinidol-O-beta-D-tetraacetylglucopyranoside
13(S*)-1beta-benzoyloxy-6alpha,7beta-diacetoxy-8beta,13-epoxy-3-neocleroden-15,16-olide|scutebata D
8-benzyl-6-[6-(6-ethyl-7-methyl-5,8-dihydro-2-naphthalenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl]-3,4-dihydro-1H-isochromen-1-one|salvadorin
Arg Asn His Glu
Asn Arg His Glu
3,7-O-diacetyl-5-O-benzoyl-13,17-oxy-14-oxopremyrsinol
D-Pantethine
Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Pantethine
A - Alimentary tract and metabolism > A11 - Vitamins Same as: D01234 Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Cys Asn Arg Tyr
Cys Asn Tyr Arg
Cys Arg Asn Tyr
Cys Arg Tyr Asn
Cys Tyr Asn Arg
Cys Tyr Arg Asn
Asp Phe His His
Asp His Phe His
Asp His His Phe
Asp His Gln Arg
Asp His Arg Gln
Asp Gln His Arg
Asp Gln Arg His
Asp Arg His Gln
Asp Arg Gln His
Glu Phe Phe Ile
Glu Phe Phe Leu
Glu Phe Ile Phe
Glu Phe Leu Phe
Glu Phe Pro Tyr
Glu Phe Tyr Pro
Glu His Asn Arg
Glu His Arg Asn
Glu Ile Phe Phe
Glu Ile Met Tyr
Glu Ile Tyr Met
Glu Leu Phe Phe
Glu Leu Met Tyr
Glu Leu Tyr Met
Glu Met Ile Tyr
Glu Met Leu Tyr
Glu Met Tyr Ile
Glu Met Tyr Leu
Glu Asn His Arg
Glu Asn Arg His
Glu Pro Phe Tyr
Glu Pro Tyr Phe
Glu Arg His Asn
Glu Arg Asn His
Glu Tyr Phe Pro
Glu Tyr Ile Met
Glu Tyr Leu Met
Glu Tyr Met Ile
Glu Tyr Met Leu
Glu Tyr Pro Phe
Phe Asp His His
Phe Glu Phe Ile
Phe Glu Phe Leu
Phe Glu Ile Phe
Phe Glu Leu Phe
Phe Glu Pro Tyr
Phe Glu Tyr Pro
Phe Phe Glu Ile
Phe Phe Glu Leu
Phe Phe Ile Glu
Phe Phe Leu Glu
Phe Phe Asn Gln
C27H34N6O7 (554.2488854000001)
Phe Phe Gln Asn
C27H34N6O7 (554.2488854000001)
Phe His Asp His
Phe His His Asp
Phe Ile Glu Phe
Phe Ile Phe Glu
Phe Leu Glu Phe
Phe Leu Phe Glu
Phe Asn Phe Gln
C27H34N6O7 (554.2488854000001)
Phe Asn Gln Phe
C27H34N6O7 (554.2488854000001)
Phe Pro Glu Tyr
Phe Pro Tyr Glu
Phe Gln Phe Asn
C27H34N6O7 (554.2488854000001)
Phe Gln Asn Phe
C27H34N6O7 (554.2488854000001)
Phe Tyr Glu Pro
Phe Tyr Pro Glu
Gly His Arg Trp
Gly His Trp Arg
Gly Arg His Trp
Gly Arg Trp His
Gly Trp His Arg
Gly Trp Arg His
His Asp Phe His
His Asp His Phe
His Asp Gln Arg
His Asp Arg Gln
His Glu Asn Arg
His Glu Arg Asn
His Phe Asp His
His Phe His Asp
His Gly Arg Trp
His Gly Trp Arg
His His Asp Phe
His His Phe Asp
His His Val Tyr
His His Tyr Val
His Asn Glu Arg
His Asn Arg Glu
His Asn Val Trp
His Asn Trp Val
His Gln Asp Arg
His Gln Arg Asp
His Arg Asp Gln
His Arg Glu Asn
His Arg Gly Trp
His Arg Asn Glu
His Arg Gln Asp
His Arg Trp Gly
His Val His Tyr
His Val Asn Trp
His Val Trp Asn
His Val Tyr His
His Trp Gly Arg
His Trp Asn Val
His Trp Arg Gly
His Trp Val Asn
His Tyr His Val
His Tyr Val His
Ile Glu Phe Phe
Ile Glu Met Tyr
Ile Glu Tyr Met
Ile Phe Glu Phe
Ile Phe Phe Glu
Ile Met Glu Tyr
Ile Met Tyr Glu
Ile Pro Tyr Tyr
Ile Tyr Glu Met
Ile Tyr Met Glu
Ile Tyr Pro Tyr
Ile Tyr Tyr Pro
Lys Met Asn Tyr
C24H38N6O7S (554.2522558000001)
Lys Met Tyr Asn
C24H38N6O7S (554.2522558000001)
Lys Asn Met Tyr
C24H38N6O7S (554.2522558000001)
Lys Asn Tyr Met
C24H38N6O7S (554.2522558000001)
Lys Tyr Met Asn
C24H38N6O7S (554.2522558000001)
Lys Tyr Asn Met
C24H38N6O7S (554.2522558000001)
Leu Glu Phe Phe
Leu Glu Met Tyr
Leu Glu Tyr Met
Leu Phe Glu Phe
Leu Phe Phe Glu
Leu Met Glu Tyr
Leu Met Tyr Glu
Leu Pro Tyr Tyr
Leu Tyr Glu Met
Leu Tyr Met Glu
Leu Tyr Pro Tyr
Leu Tyr Tyr Pro
Met Glu Ile Tyr
Met Glu Leu Tyr
Met Glu Tyr Ile
Met Glu Tyr Leu
Met Ile Glu Tyr
Met Ile Tyr Glu
Met Lys Asn Tyr
C24H38N6O7S (554.2522558000001)
Met Lys Tyr Asn
C24H38N6O7S (554.2522558000001)
Met Leu Glu Tyr
Met Leu Tyr Glu
Met Asn Lys Tyr
C24H38N6O7S (554.2522558000001)
Met Asn Tyr Lys
C24H38N6O7S (554.2522558000001)
Met Tyr Glu Ile
Met Tyr Glu Leu
Met Tyr Ile Glu
Met Tyr Lys Asn
C24H38N6O7S (554.2522558000001)
Met Tyr Leu Glu
Met Tyr Asn Lys
C24H38N6O7S (554.2522558000001)
Asn Cys Arg Tyr
Asn Cys Tyr Arg
Asn Glu His Arg
Asn Glu Arg His
Asn Phe Phe Gln
C27H34N6O7 (554.2488854000001)
Asn Phe Gln Phe
C27H34N6O7 (554.2488854000001)
Asn His Glu Arg
Asn His Arg Glu
Asn His Val Trp
Asn His Trp Val
Asn Lys Met Tyr
C24H38N6O7S (554.2522558000001)
Asn Lys Tyr Met
C24H38N6O7S (554.2522558000001)
Asn Met Lys Tyr
C24H38N6O7S (554.2522558000001)
Asn Met Tyr Lys
C24H38N6O7S (554.2522558000001)
Asn Gln Phe Phe
C27H34N6O7 (554.2488854000001)
Asn Arg Cys Tyr
Asn Arg Glu His
Asn Arg Tyr Cys
Asn Val His Trp
Asn Val Trp His
Asn Trp His Val
Asn Trp Val His
Asn Tyr Cys Arg
Asn Tyr Lys Met
C24H38N6O7S (554.2522558000001)
Asn Tyr Met Lys
C24H38N6O7S (554.2522558000001)
Asn Tyr Arg Cys
Pro Glu Phe Tyr
Pro Glu Tyr Phe
Pro Phe Glu Tyr
Pro Phe Tyr Glu
Pro Ile Tyr Tyr
Pro Leu Tyr Tyr
Pro Tyr Glu Phe
Pro Tyr Phe Glu
Pro Tyr Ile Tyr
Pro Tyr Leu Tyr
Pro Tyr Tyr Ile
Pro Tyr Tyr Leu
Gln Asp His Arg
Gln Asp Arg His
Gln Phe Phe Asn
C27H34N6O7 (554.2488854000001)
Gln Phe Asn Phe
C27H34N6O7 (554.2488854000001)
Gln His Asp Arg
Gln His Arg Asp
Gln Asn Phe Phe
C27H34N6O7 (554.2488854000001)
Gln Arg Asp His
Gln Arg His Asp
Arg Cys Asn Tyr
Arg Cys Tyr Asn
Arg Asp His Gln
Arg Asp Gln His
Arg Glu His Asn
Arg Glu Asn His
Arg Gly His Trp
Arg Gly Trp His
Arg His Asp Gln
Arg His Glu Asn
Arg His Gly Trp
Arg His Asn Glu
Arg His Gln Asp
Arg His Trp Gly
Arg Asn Cys Tyr
Arg Asn Glu His
Arg Asn Tyr Cys
Arg Gln Asp His
Arg Gln His Asp
Arg Trp Gly His
Arg Trp His Gly
Arg Tyr Cys Asn
Arg Tyr Asn Cys
Val His His Tyr
Val His Asn Trp
Val His Trp Asn
Val His Tyr His
Val Asn His Trp
Val Asn Trp His
Val Trp His Asn
Val Trp Asn His
Val Tyr His His
Trp Gly His Arg
Trp Gly Arg His
Trp His Gly Arg
Trp His Asn Val
Trp His Arg Gly
Trp His Val Asn
Trp Asn His Val
Trp Asn Val His
Trp Arg Gly His
Trp Arg His Gly
Trp Val His Asn
Trp Val Asn His
Tyr Cys Asn Arg
Tyr Cys Arg Asn
Tyr Glu Phe Pro
Tyr Glu Ile Met
Tyr Glu Leu Met
Tyr Glu Met Ile
Tyr Glu Met Leu
Tyr Glu Pro Phe
Tyr Phe Glu Pro
Tyr Phe Pro Glu
Tyr His His Val
Tyr His Val His
Tyr Ile Glu Met
Tyr Ile Met Glu
Tyr Ile Pro Tyr
Tyr Ile Tyr Pro
Tyr Lys Met Asn
C24H38N6O7S (554.2522558000001)
Tyr Lys Asn Met
C24H38N6O7S (554.2522558000001)
Tyr Leu Glu Met
Tyr Leu Met Glu
Tyr Leu Pro Tyr
Tyr Leu Tyr Pro
Tyr Met Glu Ile
Tyr Met Glu Leu
Tyr Met Ile Glu
Tyr Met Lys Asn
C24H38N6O7S (554.2522558000001)
Tyr Met Leu Glu
Tyr Met Asn Lys
C24H38N6O7S (554.2522558000001)
Tyr Asn Cys Arg
Tyr Asn Lys Met
C24H38N6O7S (554.2522558000001)
Tyr Asn Met Lys
C24H38N6O7S (554.2522558000001)
Tyr Asn Arg Cys
Tyr Pro Glu Phe
Tyr Pro Phe Glu
Tyr Pro Ile Tyr
Tyr Pro Leu Tyr
Tyr Pro Tyr Ile
Tyr Pro Tyr Leu
Tyr Arg Cys Asn
Tyr Arg Asn Cys
Tyr Val His His
Tyr Tyr Ile Pro
Tyr Tyr Leu Pro
Tyr Tyr Pro Ile
Tyr Tyr Pro Leu
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(4-methylphenyl)naphthalen-1-yl]-3-(4-methylphenyl)naphthalene
Methyl 2,3,4,6-tetra-O-benzyl-a-D-galactopyranoside
TRIISOPROPYL((4-((4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)PHENYL)ETHYNYL)PHENYL)ETHYNYL)SILANE
Zuclopenthixol decanoate
C32H43ClN2O2S (554.2733608000001)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(4-methylphenyl)naphthalen-1-yl]-6-(4-methylphenyl)naphthalene
SODIUM 2-(DICYCLOHEXYLPHOSPHINO)-2,6-DIISOPROPYL-[1,1-BIPHENYL]-4-SULFONATE HYDRATE
C30H44NaO4PS (554.2595474000001)
Tozasertib lactate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Clopenthixol decanoate
C32H43ClN2O2S (554.2733608000001)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
Bis(N-pantothenylamidoethyl) disulfide
(2S)-2-Amino-N-[(1S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
2-amino-N-[[(1R,2S,10R,12S,13S)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]propanamide
antimycin A9
A benzamide obtained by formal condensation of the carboxy group of 3-formamido-2-hydroxybenzoic acid with the amino group of 3-amino-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl phenylacetate. It is a microbial metabolite isolated from Streptomyces.
(2S)-2-amino-N-[(3S)-7,7-dimethyl-4-[[4-(2-methylphenyl)-1-piperazinyl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
1-(2-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
2-[[[(4R,5S)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5R)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
1-(9Z-hexadecenoyl)-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol
1-(11Z-hexadecenoyl)-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol
2-(11Z-hexadecenoyl)-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol
2-(13Z-hexadecenoyl)-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol
17-ethyl-21-hydroxy-19-[1-(1h-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraene-2,5,6-trione
C34H38N2O5 (554.2780577999999)
(2s,3r,4r,5r,6s)-2-{4-[(1r,2s)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol
ethyl 4-[(1s,7s,13r,15r)-3-hydroxy-5-oxo-7-phenyl-13-[(1e)-2-phenylethenyl]-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate
9,10-bis(acetyloxy)-5,7-dihydroxy-2-(1-hydroxyethoxy)-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(2r,3r,4s,5r)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 4-hydroxybenzoate
(2s)-2-({[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid
methyl 2,12,14-tris(acetyloxy)-3,16-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-ene-9-carboxylate
13-{15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
(1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,13-bis(acetyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate
methyl (1r,2s,5s,7s,8s,9s,10s)-5-(furan-3-yl)-7,9-dimethyl-3-oxo-8-(3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-4,11-dioxatricyclo[7.2.1.0²,⁷]dodecane-10-carboxylate
n-{7-butyl-4,9-dimethyl-2,6-dioxo-8-[(2-phenylacetyl)oxy]-1,5-dioxonan-3-yl}-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
3,12-diacetyl-8-benzoylingol
{"Ingredient_id": "HBIN006919","Ingredient_name": "3,12-diacetyl-8-benzoylingol","Alias": "NA","Ingredient_formula": "C31H38O9","Ingredient_Smile": "CC1CC23C(=O)C(C(C4C(C4(C)C)C(C(C(=CC2(C1OC(=O)C)O3)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C)C","Ingredient_weight": "554.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5324","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101177388","DrugBank_id": "NA"}
7-isovaleroylcycloseverinolide
{"Ingredient_id": "HBIN013303","Ingredient_name": "7-isovaleroylcycloseverinolide","Alias": "NA","Ingredient_formula": "C31H38O9","Ingredient_Smile": "CC(C)CC(=O)OC1C(C23C(=O)C=CC2(COC3(C)C)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)O","Ingredient_weight": "554.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11756","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "133562252","DrugBank_id": "NA"}
1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
methyl (1s,2r,3s,4r,7s,8e,12r,13s,14s,16s,17r)-2,12,14-tris(acetyloxy)-3,16-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-ene-9-carboxylate
17-methoxy-7,15,19,20-tetramethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,11-trioxapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icos-16-en-18-one
8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5-{5-hydroxy-hexahydrofuro[2,3-b]furan-2-yl}-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(4-isopropyl-1,6-dimethyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)oxy]oxane-3,4,5-triol
15-[(1e)-2-(7-methoxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(1r,2s,3r,4ar,5s,6r,8s,8ar)-5-[(2r,3as,5s,6ar)-5-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
(1s,2s,6s,7r,8s,10s,12r,15s,19s,20s)-17-methoxy-7,15,19,20-tetramethyl-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,11-trioxapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icos-16-en-18-one
methyl 6-(acetyloxy)-1-hydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
(3as,4s,4ar,6s,8ar,9r,10r)-4,9-bis(acetyloxy)-6-hydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2-oxo-3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
10-(acetyloxy)-6-[(acetyloxy)methyl]-9-[1-(acetyloxy)propan-2-yl]-8-hydroxy-2-methylcyclodeca-2,6-dien-1-yl 3-(acetyloxy)-2-methylbutanoate
methyl (1s,2r,3s,4r,7s,8e,12s,13s,14s,16s,17r)-2,12,14-tris(acetyloxy)-3,16-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-ene-9-carboxylate
ethyl 2-[(1s,3r,4s,7r,8s,9s,11s,14s,17s,26s)-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16(20),22-dien-17-yl]acetate
4,13-bis(acetyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate
[(2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-{[(2r,3e)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl]oxy}oxan-2-yl]methyl acetate
(1s,2s,6s,7r,8s,10s,12r,14s,15s,19s,20s)-17-methoxy-7,15,19,20-tetramethyl-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,11-trioxapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icos-16-en-18-one
(2r,3e,5r,7s,8e,10s,11r,13s)-2,3-bis(acetyloxy)-7,13-dihydroxy-10-[(1r)-1-hydroxyethoxy]-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate
(8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate
4,9-bis(acetyloxy)-6-hydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2-oxo-3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
2-[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-methyloxane-3,4,5-triol
ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate
(2s,3r,4r,5r,6s)-2-[3-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-methyloxane-3,4,5-triol
methyl (1s,3s,16e,21r,22s,23s,24r,26z)-26-ethylidene-22,23,24-trihydroxy-13,17-dimethyl-9,18-dioxo-2,4,10,19,25-pentaoxatricyclo[19.3.1.1³,⁷]hexacosa-5,16-diene-6-carboxylate
n-[(3s,4r,7r,8r,9s)-7-benzyl-4,9-dimethyl-8-[(2-methylbutanoyl)oxy]-2,6-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(1r,3r,4r,5r,7s,8s,9r,10e,12s,13r,14r)-4,9-bis(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate
methyl (1s,2e,4r,5s,6r,9s,11r,12r)-6-(acetyloxy)-1-hydroxy-5-isopropyl-8,12-dimethyl-11-{[(2e)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
6-(furan-3-yl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹¹.0⁹,¹¹]henicos-19-en-13-yl 3-methylbutanoate
(1r,2s,5r,6r,10s,13s,14r,16s)-6-(furan-3-yl)-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2-methylprop-2-enoate
(1s,2r,5s,6s,9s,11r,12s,13s,14r,15r)-6-(furan-3-yl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹¹.0⁹,¹¹]henicos-19-en-13-yl 3-methylbutanoate
n-{3-[(9s,9as)-1,9-dihydroxy-2,2-dimethyl-3-oxo-9ah-imidazo[1,2-a]indol-9-yl]-1-methoxy-1-oxopropan-2-yl}-2-[(1,2-dihydroxy-3-methylbutylidene)amino]benzenecarboximidic acid
4,9-bis(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate
1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
(2r,3r,4s,5r)-2-[(2r,3r)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
6-(1-{5-chloro-1,3a,5a,6-tetrahydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-5-hydroxy-3,4-dimethyl-5,6-dihydropyran-2-one
(1s,3r,5r,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 4-hydroxybenzoate
(13s,15r)-15-[(1e)-2-(7-methoxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(2s,4r)-2-({[(3s)-2-[(2r)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid
(1s,3r,5s,6as,7r,8r,10s,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
15-[2-(7-methoxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
2-(4-{1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol
(5r,6r)-6-[(1s)-1-[(1s,3ar,3br,5s,5ar,6s,9ar,9bs,11as)-5-chloro-1,3a,5a,6-tetrahydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dimethyl-5,6-dihydropyran-2-one
(2s,3r,4r,5r,6s)-2-{4-[(1s,2r)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol
n-(3-{1,9-dihydroxy-2,2-dimethyl-3-oxo-9ah-imidazo[1,2-a]indol-9-yl}-1-methoxy-1-oxopropan-2-yl)-2-[(1,2-dihydroxy-3-methylbutylidene)amino]benzenecarboximidic acid
2-[({2-[2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl}(hydroxy)methylidene)amino]-5-hydroxy-4-methylpentanoic acid
(8s,12r,19s,20s)-17-methoxy-7,15,19,20-tetramethyl-10-{[(2s,4s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,11-trioxapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icos-16-en-18-one
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(1r,2s,5s,6s,9s,11r,12s,13s,14r,15r)-6-(furan-3-yl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹¹.0⁹,¹¹]henicos-19-en-13-yl 3-methylbutanoate
(1r,2s,5s,6s,9s,11r,12s,13s,14r)-6-(furan-3-yl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹¹.0⁹,¹¹]henicos-19-en-13-yl 3-methylbutanoate
methyl 5-(furan-3-yl)-7,9-dimethyl-3-oxo-8-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-4,11-dioxatricyclo[7.2.1.0²,⁷]dodecane-10-carboxylate
(1s,2e,6z,8r,9s,10s)-10-(acetyloxy)-6-[(acetyloxy)methyl]-9-[(2s)-1-(acetyloxy)propan-2-yl]-8-hydroxy-2-methylcyclodeca-2,6-dien-1-yl (2s,3r)-3-(acetyloxy)-2-methylbutanoate
(1s,3r,5r,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
methyl (1r,2e,4s,5r,6s,9r,11s,12s)-6-(acetyloxy)-1-hydroxy-5-isopropyl-8,12-dimethyl-11-{[(2e)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
(1r,2s,3e,5s,7r,8e,10r,13s)-9,10-bis(acetyloxy)-5,7-dihydroxy-2-[(1r)-1-hydroxyethoxy]-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(1s,3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
6-(furan-3-yl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2-methylprop-2-enoate
(1s,3e,7e,9s,11e,13r,14s,16r,17s,18r,19s)-17-ethyl-21-hydroxy-19-[(1r)-1-(1h-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraene-2,5,6-trione
C34H38N2O5 (554.2780577999999)