Exact Mass: 526.2865
Exact Mass Matches: 526.2865
Found 500 metabolites which its exact mass value is equals to given mass value 526.2865
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ganosporeric acid A
Constituent of rape oil and fish oils as glycerideand is also in other plant oils, e.g. false flax (Camelina sativa), and swede (Brassica napobrassica) Ganosporeric acid A is found in mushrooms. Ganosporeric acid A is a constituent of Ganoderma lucidum (reishi). Ganosporeric acid A, a natural product, is isolated from the ether-soluble fraction of the spores of Ganoderma lucidum. Ganosporeric acid A can be used for the research of liver injury[1]. Ganosporeric acid A, a natural product, is isolated from the ether-soluble fraction of the spores of Ganoderma lucidum. Ganosporeric acid A can be used for the research of liver injury[1].
Withangulatin A
Withangulatin A is found in fruits. Withangulatin A is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Absintholide
Constituent of Artemisia absinthium (wormwood). Absintholide is found in alcoholic beverages and herbs and spices. Absintholide is found in alcoholic beverages. Absintholide is a constituent of Artemisia absinthium (wormwood).
Desmosine
Desmosine is formed by condensation of four molecules of lysine into a pyridinium ring. Elastin molecules aggregate in the extracellular space where they are crosslinked by stable desmosine bridges. The resulting polymer is structurally organized as branched fibers and lamellae, which, in skin, are wider (a few microns) in the deep dermis and become progressively thinner (fraction of a micron) towards the papillary dermis. Several general and local factors seem to regulate elastin gene expression, deposition and degradation. (PMID: 9297692). Desmosines are crosslinking amino acids unique to mature elastin in humans. Owing to this unicity, they have been discussed as potentially indicators of connective tissue disorders whose clinical manifestations are mostly the result of elastin degradation. (PMID: 17390614). Emphysema (Pulmonary emphysema is a devastating disease for which there is no effective treatment) is associated with degradation of elastic fibers (PMID: 14704646). It has been shown that the urinary concentration of elastin specific crosslinks, desmosine correlates well with liver fibrosis score in biopsy specimens from patients with liver disease secondary to hepatitis C virus and alcohol. (PMID: 10996125). Degradation production of Elastin
Isodesmosine
2-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium. A rare amino acid found in elastin, formed by condensation of four molecules of lysine into a pyridinium ring.
Degradation production of Elastin which, together with Desmosine
(S)-1-(Sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
I-Bimetrol
Iganidipine
N-(1-(1,2-Dihydro-1-methanesulfonylspiro(3H-indole-3,4'-piperidine-1'-yl)carbonyl)-4-phenylbutyl)-2-amino-2-methylpropanamide hydrochloride
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethylpentyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
Val-Phe-Val-Tyr
Hythiemoside A
Hythiemoside B
Hythiemoside B is a natural product found in Wollastonia biflora, Sigesbeckia orientalis, and Indocypraea montana with data available.
7beta-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester
[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate
7beta-hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester|methyl ganoderenate D
12alpha-acetoxyazadironolide|12??-Acetoxyazadironolide
7alpha,12alpha-diacetoxy-11beta-hydroxyneotecleanin|7??,12??-Diacetoxy-11??-hydroxyneotecleanin|zumsenol
16,beta-17-hydroxy-ent-1-alpha-auzan-19-O-D-glucopyranosyl ester|paniculoside IV
1alpha-acetoxy-3alpha-propanoyloxyvilasinin|1alpha-acetyl-3alpha-propanoylvilasinine
(17S,18R,20R,22R)-4beta-acetyloxy-5beta,6beta:18,20-diepoxy-18-hydroxy-1-oxowitha-2,24-dienolide
(3S)-6t,6c-di-furan-3-yl-9c,9t-dimethyl-(3rS,9ac,2rC2,4tC2,3rC3,9at)-dodecahydro-dispiro[quinolizine-3,2-thiophene-4,3-quinolizine]-4t,4c-diol|6,6-Dihydroxy-thiobinupharidin|6,6-Dihydroxythiobinupharidin|6,6-Dihydroxythionuphlutin-A|6,6-Dihydroxythionuphlutin-B|thiobinupharidine-6alpha,15alpha-diol|thionupharodioline
methyl 3,7,11,12,15,23-hexaoxo-5alpha-lanost-8-en-26-oate
1beta,2beta,3beta,4beta,5beta,6beta,7alpha,24betaoctaol-spirost-25(27)-en|tupisteroide C
11-O-acetyl-12-O-benzoyl-17beta-marsdenin|5,6-didehydrocynafogenin
7alpha,12alpha-diacetoxy-21-hydroxy-24,25,26,27-tetranor-3-oxoapotirucalla-1,14,20(22)-trien-23,21-olide|turraparvin C
5beta-acetoxy-4beta,10-diangeloyloxy-2beta,3beta,8,11-tetrahydroxy-bisabol-7(14)-ene
(20R,22R)-15alpha-acetoxy-5beta(6),16beta(17)-diepoxy-14beta-hydroxy-1-oxo-witha-2,24-dienolide|4-dehydroxyphysagulin C|physagulin H
Ganosporeric acid A
Ganosporeric acid A is a triterpenoid. (2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid is a natural product found in Ganoderma lucidum with data available. Ganosporeric acid A, a natural product, is isolated from the ether-soluble fraction of the spores of Ganoderma lucidum. Ganosporeric acid A can be used for the research of liver injury[1]. Ganosporeric acid A, a natural product, is isolated from the ether-soluble fraction of the spores of Ganoderma lucidum. Ganosporeric acid A can be used for the research of liver injury[1].
Withangulatin A
Withangulatin A is a withanolide. Withangulatin A is a natural product found in Physalis angulata, Physalis lagascae, and other organisms with data available.
[6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
C28H46O9_(3beta,5beta,9beta,10alpha,13alpha,15R)-16-(beta-D-Galactopyranosyloxy)-3-hydroxypimar-8(14)-en-15-yl acetate
C31H42O7_5-Heptenoic acid, 2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17E)-16-(acetyloxy)-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methyl-, (2E)
[6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based on: CCMSLIB00000847103]
[6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based: Match]
[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate_major
[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate_47.4\\%
Asp His Lys Lys
Asp Lys His Lys
Asp Lys Lys His
Phe Phe Ile Thr
Phe Phe Leu Thr
Phe Phe Thr Ile
Phe Phe Thr Leu
Phe Ile Phe Thr
Phe Ile Thr Phe
Phe Leu Phe Thr
Phe Leu Thr Phe
Phe Thr Phe Ile
Phe Thr Phe Leu
Phe Thr Ile Phe
Phe Thr Leu Phe
Phe Val Val Tyr
Phe Val Tyr Val
Phe Tyr Val Val
Gly His Lys Trp
Gly His Trp Lys
Gly Lys His Trp
Gly Lys Trp His
Gly Trp His Lys
Gly Trp Lys His
His Asp Lys Lys
His Gly Lys Trp
His Gly Trp Lys
His Lys Asp Lys
His Lys Gly Trp
His Lys Lys Asp
His Lys Arg Ser
His Lys Ser Arg
His Lys Trp Gly
His Asn Arg Thr
His Asn Thr Arg
His Gln Arg Ser
His Gln Ser Arg
His Arg Lys Ser
His Arg Asn Thr
His Arg Gln Ser
His Arg Ser Lys
His Arg Ser Gln
His Arg Thr Asn
His Ser Lys Arg
His Ser Gln Arg
His Ser Arg Lys
His Ser Arg Gln
His Thr Asn Arg
His Thr Arg Asn
His Trp Gly Lys
His Trp Lys Gly
Ile Phe Phe Thr
Ile Phe Thr Phe
Ile Thr Phe Phe
Lys Asp His Lys
Lys Asp Lys His
Lys Gly His Trp
Lys Gly Trp His
Lys His Asp Lys
Lys His Gly Trp
Lys His Lys Asp
Lys His Arg Ser
Lys His Ser Arg
Lys His Trp Gly
Lys Lys Asp His
Lys Lys His Asp
Lys Pro Pro Trp
Lys Pro Trp Pro
Lys Arg His Ser
Lys Arg Ser His
Lys Ser His Arg
Lys Ser Arg His
Lys Trp Gly His
Lys Trp His Gly
Lys Trp Pro Pro
Leu Phe Phe Thr
Leu Phe Thr Phe
Leu Thr Phe Phe
Asn His Arg Thr
Asn His Thr Arg
Asn Arg His Thr
Asn Arg Thr His
Asn Thr His Arg
Asn Thr Arg His
Pro Lys Pro Trp
Pro Lys Trp Pro
Pro Pro Lys Trp
Pro Pro Trp Lys
Pro Trp Lys Pro
Pro Trp Pro Lys
Gln His Arg Ser
Gln His Ser Arg
Gln Arg His Ser
Gln Arg Ser His
Gln Ser His Arg
Gln Ser Arg His
Arg His Lys Ser
Arg His Asn Thr
Arg His Gln Ser
Arg His Ser Lys
Arg His Ser Gln
Arg His Thr Asn
Arg Lys His Ser
Arg Lys Ser His
Arg Asn His Thr
Arg Asn Thr His
Arg Gln His Ser
Arg Gln Ser His
Arg Ser His Lys
Arg Ser His Gln
Arg Ser Lys His
Arg Ser Gln His
Arg Thr His Asn
Arg Thr Asn His
Ser His Lys Arg
Ser His Gln Arg
Ser His Arg Lys
Ser His Arg Gln
Ser Lys His Arg
Ser Lys Arg His
Ser Gln His Arg
Ser Gln Arg His
Ser Arg His Lys
Ser Arg His Gln
Ser Arg Lys His
Ser Arg Gln His
Thr Phe Phe Ile
Thr Phe Phe Leu
Thr Phe Ile Phe
Thr Phe Leu Phe
Thr His Asn Arg
Thr His Arg Asn
Thr Ile Phe Phe
Thr Leu Phe Phe
Thr Asn His Arg
Thr Asn Arg His
Thr Arg His Asn
Thr Arg Asn His
Val Phe Val Tyr
Val Phe Tyr Val
Val Val Phe Tyr
Val Val Tyr Phe
Val Tyr Phe Val
Val Tyr Val Phe
Trp Gly His Lys
Trp Gly Lys His
Trp His Gly Lys
Trp His Lys Gly
Trp Lys Gly His
Trp Lys His Gly
Trp Lys Pro Pro
Trp Pro Lys Pro
Trp Pro Pro Lys
Tyr Phe Val Val
Tyr Val Phe Val
Tyr Val Val Phe
Absintholide
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxyundecanoic acid
Applanoic acid E
Applanoic acid F
Dequalinium Chloride
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents
2,2-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole]
Argatroban
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173066 - Direct Thrombin Inhibitor D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Iganidipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C93038 - Cation Channel Blocker
(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
(S)-1-(Sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
[1-(7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate
[15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-13-yl] acetate
N-(1-(1,2-Dihydro-1-methanesulfonylspiro(3H-indole-3,4'-piperidine-1'-yl)carbonyl)-4-phenylbutyl)-2-amino-2-methylpropanamide hydrochloride
(2S)-2-azaniumyl-6-[4-[(4S)-4-azaniumyl-4-carboxylatobutyl]-3,5-bis[(3S)-3-azaniumyl-3-carboxylatopropyl]pyridin-1-ium-1-yl]hexanoate
2-Azaniumyl-6-[2-(4-azaniumyl-4-carboxylatobutyl)-3,5-bis(3-azaniumyl-3-carboxylatopropyl)pyridin-1-ium-1-yl]hexanoate
1-(sec-butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
1-[(4S,7S,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
[6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
4-[[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
1-[(4R,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4R,7S,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4R,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
4-[[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
4-[[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
4-[[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
(5S,6R,9R)-14-[[cyclopropyl(oxo)methyl]amino]-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
1-[(4R,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4S,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4S,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4S,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-4-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] hexadecanoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] tetradecanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] decanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] tridecanoate
[1-[(2-Heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] undecanoate
[1-[(2-Hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] dodecanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] pentadecanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] hexadecanoate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-nonanoyloxypropyl] nonanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] tetradecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] pentadecanoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] decanoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] tridecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] undecanoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] dodecanoate
Desmosine
(1r,3br,4r,5ar,9ar,9br,11s,11as)-4-(acetyloxy)-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
4-heptyl-6-hydroxy-2'-methoxy-6'-nonyl-2,4'-dioxospiro[1-benzofuran-3,1'-cyclohexane]-2',5'-diene-5-carboxylic acid
(1s,3ar,3bs,7s,9ar,9br,11r,11ar)-7-{[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,3b,11-tetrol
methyl (2r,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate
2-methoxy-4-(4-{3-methoxy-4-[(3-methylbutanoyl)oxy]phenyl}-hexahydrofuro[3,4-c]furan-1-yl)phenyl 3-methylbutanoate
methyl 6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate
(2r,18s,19r)-14,17,17,21,21,24-hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.0²,¹⁸.0³,¹⁵.0⁴,¹².0⁶,¹¹.0²³,³⁴.0²⁶,³³.0²⁷,³²]tetratriaconta-3(15),4(12),6(11),7,9,13,23(34),24,26(33),27(32),28,30-dodecaene
(1r,3br,4r,5ar,9ar,9br,11s,11as)-4-(acetyloxy)-1-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
(3r,4r,6s,6ar,7s,8ar,10r,12s,12ar,12br)-4,6,7,10,12-pentamethyl-3-(1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-dodecahydro-3h-naphtho[1,2-c]oxocine-1,8-dione
(3s,4'r,4''r,9r,9''r,9as,9''as)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizine]-4,4''-diol
(2r,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
methyl (2r,5e)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate
(1r,3br,4r,5ar,9ar,9br,11s,11as)-4-(acetyloxy)-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
[(1r,3ar,6s,7s,8r,9ar,9br,11ar)-7,8-dihydroxy-9a,11a-dimethyl-1-[(1s)-1-[(2s,3s)-3-[(2s)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-6-yl]oxidanesulfonic acid
methyl (6r)-6-[(3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate
14,17,17,21,21,24-hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.0²,¹⁸.0³,¹⁵.0⁴,¹².0⁶,¹¹.0²³,³⁴.0²⁶,³³.0²⁷,³²]tetratriaconta-3(15),4(12),6(11),7,9,13,23(34),24,26(33),27(32),28,30-dodecaene
(2s,18r,19s)-14,17,17,21,21,24-hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.0²,¹⁸.0³,¹⁵.0⁴,¹².0⁶,¹¹.0²³,³⁴.0²⁶,³³.0²⁷,³²]tetratriaconta-3(15),4(12),6(11),7,9,13,23(34),24,26(33),27(32),28,30-dodecaene
(1s,3s,5s,6as,7r,8r,10s,10as)-1-(acetyloxy)-10-hydroxy-3-methoxy-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
4-[(1r,3as,4r,6as)-4-{3-methoxy-4-[(3-methylbutanoyl)oxy]phenyl}-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl 3-methylbutanoate
(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-(acetyloxy)-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3-phenylprop-2-enoate
methyl 6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate
(2r,3r)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-hydroxy-3-methylbutyl)-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
3,3,5-trimethyl-8-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-11h-pyrano[3,2-a]carbazole
2-(acetyloxy)-3,8-dimethyl-5-(2-methyloxiran-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl 2-hydroxy-8-methyl-7-oxa-5,8-diazatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene-4-carboxylate
methyl (5e)-6-[(1s,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate
12α-acetoxyazadironolide
{"Ingredient_id": "HBIN000701","Ingredient_name": "12\u03b1-acetoxyazadironolide","Alias": "NA","Ingredient_formula": "C30H38O8","Ingredient_Smile": "CC(=O)OC1CC2C3(C=CC(=O)C(C3CC(C2(C4=CCC(C14C)C5=CC(OC5=O)O)C)OC(=O)C)(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "128","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,6'-dihydroxythiobinupharidine
{"Ingredient_id": "HBIN012036","Ingredient_name": "6,6'-dihydroxythiobinupharidine","Alias": "NA","Ingredient_formula": "C30H42N2O4S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2O)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)SC3)C7=COC=C7","Ingredient_weight": "526.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20964;20965;20966","PubChem_id": "15816477","DrugBank_id": "NA"}
7β-hydroxy-3,11,15,23-tetraoxolanosta-8,20 e(22)-dien-26-oicacid methyl ester
{"Ingredient_id": "HBIN013104","Ingredient_name": "7\u03b2-hydroxy-3,11,15,23-tetraoxolanosta-8,20 e(22)-dien-26-oicacid methyl ester","Alias": "7\u03b2-Hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester","Ingredient_formula": "C31H42O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10758;42600","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
applanoxidic acid C
{"Ingredient_id": "HBIN016520","Ingredient_name": "applanoxidic acid C","Alias": "NA","Ingredient_formula": "C30H38O8","Ingredient_Smile": "CC(CC(=O)CC(C)(C1=CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(=O)C5(C)C)C)C)C)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32363","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}