Exact Mass: 488.2495542
Exact Mass Matches: 488.2495542
Found 500 metabolites which its exact mass value is equals to given mass value 488.2495542
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Jamaicamide B
C27H37ClN2O4 (488.24417120000004)
7-Sulfocholic acid
C24H40O8S (488.24437600000005)
7-Sulfocholic acid is a naturally occurring bile acid sulfate conjugate that has been identified in human bile (PMID: 7320139) and human urine. (PMID: 3584362). In mice significantly less cholic acid 7-sulfate (5-7\\%) is present in bladder bile and small intestine than in the cecum, colon, or feces (>80\\%). (PMID: 954753). 7-Sulfocholic acid is a naturally occurring bile acid sulfate conjugate that has been identified in human bile (PMID: 7320139) and human urine. (PMID: 3584362)
Prednicarbate
Prednicarbate is a relatively new topical corticosteroid drug. It is similar in potency to hydrocortisone. It is used in the treatment of inflammatory skin diseases, such as atopic dermatitis. It has a favorable benefit-risk ratio, with an inflammatory action similar to that of a medium potency corticosteroid, but with a low potential to cause skin atrophy. The anti-inflammation action of corticosteroids is associated with the inhibition of the interleukin 1-alpha cytokine within keratinocytes. IL-1a is also found in fibroblasts, where it is responsible for proliferation, collagenase induction and IL-6 synthesis, which are related to skin thickness.
13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoate
2alpha-acetoxy-6alpha-p-methoxybenzoyl-10alpha-acetoxy-jaeschkeanadiol
3,3-Methylenebis(2,4-dihydroxy-6-methoxy-beta,5-dimethylbutyrophenone)
8alpha,11alpha-diangeloyloxy-10beta-acetoxyslov-3-enolide
Me ester,tri-Ac-11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid|Tri-Ac,Me ester-11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid
17-acetyloxy-3-O-angeloyl-ingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1-(acetyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl]methyl (2Z)-2-methylbut-2-enoate
(?)-2,11-dimethoxy-4-methylenehydroxy-13-[2,5-dihydro-5-methyl-3-oxofuranyl]picras-14-ene-1,16-dione|(?)-odyendanol
8alpha-acetoxy-2beta,10beta-angeloyloxy-6alphaH,7alphaH-guaian-3-en-12,6-olide
2,4-Dihydroxy-1,3-dimethyl-5-(3-methylbutanoyl)-3-[[2,6-dihydroxy-3-methyl-4-methoxy-5-(3-methylbutanoyl)phenyl]methyl]-1,4-cyclohexadien-6-one
7-O-malonyl macrolactin A|7-O-malonylmacrolactin A
3-O-acetyl-20-O-angeloyl-17-hydroxyingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-6-(acetyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-4-yl]methyl (2Z)-2-methylbut-2-enoate
Lys Val Asn Glu
Glu Val Ile Glu
Asp Ile Asn Lys
Asn Ile Asp Lys
Asn Ile Lys Asp
C27H36O8_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)
Sulfocholic acid
C24H40O8S (488.24437600000005)
CONFIDENCE standard compound; INTERNAL_ID 293
3a-Sulfate-7a,12a-(OH)2-5b-cholanic acid
C24H40O8S (488.24437600000005)
BA-143-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
(2R,2R,4aS,6S,7R,8aS)-7-formyl-4-hydroxy-6-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H,3H-spiro[benzofuran-2,1-naphthalene]-6,7-diyl diacetate
(4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
C24H40O8S (488.24437600000005)
(R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
C24H40O8S (488.24437600000005)
Ala Gly Arg Trp
Ala Gly Trp Arg
Ala His Val Tyr
Ala His Tyr Val
Ala Asn Val Trp
Ala Asn Trp Val
Ala Arg Gly Trp
Ala Arg Trp Gly
Ala Val His Tyr
Ala Val Asn Trp
Ala Val Trp Asn
Ala Val Tyr His
Ala Trp Gly Arg
Ala Trp Asn Val
Ala Trp Arg Gly
Ala Trp Val Asn
Asp Glu Ile Ile
Asp Glu Ile Leu
Asp Glu Leu Ile
Asp Glu Leu Leu
Asp Ile Glu Ile
Asp Ile Glu Leu
Asp Ile Ile Glu
Asp Ile Lys Asn
Asp Ile Leu Glu
Asp Lys Ile Asn
Asp Lys Leu Asn
Asp Lys Asn Ile
Asp Lys Asn Leu
Asp Lys Gln Val
Asp Lys Val Gln
Asp Leu Glu Ile
Asp Leu Glu Leu
Asp Leu Ile Glu
Asp Leu Lys Asn
Asp Leu Leu Glu
Asp Leu Asn Lys
Asp Asn Ile Lys
Asp Asn Lys Ile
Asp Asn Lys Leu
Asp Asn Leu Lys
Asp Gln Lys Val
Asp Gln Val Lys
Asp Val Lys Gln
Asp Val Gln Lys
Glu Asp Ile Ile
Glu Asp Ile Leu
Glu Asp Leu Ile
Glu Asp Leu Leu
Glu Glu Ile Val
Glu Glu Leu Val
Glu Glu Val Ile
Glu Glu Val Leu
Glu Ile Asp Ile
Glu Ile Asp Leu
Glu Ile Glu Val
Glu Ile Ile Asp
Glu Ile Leu Asp
Glu Ile Val Glu
Glu Lys Asn Val
Glu Lys Val Asn
Glu Leu Asp Ile
Glu Leu Asp Leu
Glu Leu Glu Val
Glu Leu Ile Asp
Glu Leu Leu Asp
Glu Leu Val Glu
Glu Asn Lys Val
Glu Asn Val Lys
Glu Val Glu Ile
Glu Val Glu Leu
Glu Val Lys Asn
Glu Val Leu Glu
Glu Val Asn Lys
Gly Ala Arg Trp
Gly Ala Trp Arg
Gly Asn Trp Leu
Gly Arg Ala Trp
Gly Arg Trp Ala
Gly Val Gln Trp
Gly Val Trp Gln
Gly Trp Ala Arg
Gly Trp Ile Asn
Gly Trp Leu Asn
Gly Trp Arg Ala
Gly Tyr His Ile
Gly Tyr His Leu
Gly Tyr Ile His
Gly Tyr Leu His
His Ala Val Tyr
His Ala Tyr Val
His Phe Ser Val
His Phe Val Ser
His Gly Ile Tyr
His Gly Leu Tyr
His Gly Tyr Ile
His Gly Tyr Leu
His His Pro Val
His His Val Pro
His Ile Gly Tyr
His Ile Tyr Gly
His Leu Gly Tyr
His Leu Tyr Gly
His Pro His Val
His Pro Val His
His Ser Phe Val
His Ser Val Phe
His Val Ala Tyr
His Val Phe Ser
His Val His Pro
His Val Pro His
His Val Ser Phe
His Val Tyr Ala
His Tyr Ala Val
His Tyr Gly Ile
His Tyr Gly Leu
His Tyr Ile Gly
His Tyr Leu Gly
His Tyr Val Ala
Ile Asp Glu Ile
Ile Asp Glu Leu
Ile Asp Ile Glu
Ile Asp Lys Asn
Ile Asp Leu Glu
Ile Asp Asn Lys
Ile Glu Asp Ile
Ile Glu Asp Leu
Ile Glu Glu Val
Ile Glu Ile Asp
Ile Glu Leu Asp
Ile Glu Val Glu
Ile Gly His Tyr
Ile Gly Asn Trp
Ile Gly Trp Asn
Ile Gly Tyr His
Ile His Gly Tyr
Ile His Tyr Gly
Ile Ile Asp Glu
Ile Ile Glu Asp
Ile Lys Asp Asn
Ile Lys Asn Asp
Ile Leu Asp Glu
Ile Leu Glu Asp
Ile Asn Asp Lys
Ile Asn Gly Trp
Ile Asn Lys Asp
Ile Asn Trp Gly
Ile Gln Gln Thr
Ile Gln Thr Gln
Ile Thr Gln Gln
Ile Val Glu Glu
Ile Trp Gly Asn
Ile Trp Asn Gly
Ile Tyr Gly His
Ile Tyr His Gly
Lys Asp Ile Asn
Lys Asp Leu Asn
Lys Asp Asn Ile
Lys Asp Asn Leu
Lys Asp Gln Val
Lys Asp Val Gln
Lys Glu Asn Val
Lys Glu Val Asn
Lys Ile Asp Asn
Lys Ile Asn Asp
Lys Leu Asp Asn
Lys Leu Asn Asp
Lys Met Asn Pro
Lys Met Pro Asn
Lys Asn Asp Ile
Lys Asn Asp Leu
Lys Asn Glu Val
Lys Asn Ile Asp
Lys Asn Leu Asp
Lys Asn Met Pro
Lys Asn Pro Met
Lys Asn Val Glu
Lys Pro Met Asn
Lys Pro Asn Met
Lys Gln Asp Val
Lys Gln Val Asp
Lys Val Asp Gln
Lys Val Glu Asn
Lys Val Gln Asp
Leu Asp Glu Ile
Leu Asp Glu Leu
Leu Asp Ile Glu
Leu Asp Lys Asn
Leu Asp Leu Glu
Leu Asp Asn Lys
Leu Glu Asp Ile
Leu Glu Asp Leu
Leu Glu Glu Val
Leu Glu Ile Asp
Leu Glu Leu Asp
Leu Glu Val Glu
Leu Gly His Tyr
Leu Gly Asn Trp
Leu Gly Trp Asn
Leu Gly Tyr His
Leu His Gly Tyr
Leu His Tyr Gly
Leu Ile Asp Glu
Leu Ile Glu Asp
Leu Lys Asp Asn
Leu Lys Asn Asp
Leu Leu Asp Glu
Leu Leu Glu Asp
Leu Asn Asp Lys
Leu Asn Gly Trp
Leu Asn Lys Asp
Leu Asn Trp Gly
Leu Gln Gln Thr
Leu Gln Thr Gln
Leu Thr Gln Gln
Leu Val Glu Glu
Leu Trp Gly Asn
Leu Trp Asn Gly
Leu Tyr Gly His
Leu Tyr His Gly
Met Lys Asn Pro
Met Lys Pro Asn
Met Asn Lys Pro
Met Asn Pro Lys
Met Pro Lys Asn
Met Pro Asn Lys
Asn Asp Ile Lys
Asn Asp Lys Ile
Asn Asp Lys Leu
Asn Asp Leu Lys
Asn Glu Lys Val
Asn Glu Val Lys
Asn Gly Ile Trp
Asn Gly Leu Trp
Asn Gly Trp Ile
Asn Gly Trp Leu
Asn Ile Gly Trp
Asn Ile Trp Gly
Asn Lys Asp Ile
Asn Lys Asp Leu
Asn Lys Glu Val
Asn Lys Ile Asp
Asn Lys Leu Asp
Asn Lys Met Pro
Asn Lys Pro Met
Asn Lys Val Glu
Asn Leu Asp Lys
Asn Leu Gly Trp
Asn Leu Lys Asp
Asn Leu Trp Gly
Asn Met Lys Pro
Asn Met Pro Lys
Asn Pro Lys Met
Asn Pro Met Lys
Asn Val Ala Trp
Asn Val Glu Lys
Asn Val Lys Glu
Asn Val Trp Ala
Asn Trp Ala Val
Asn Trp Gly Ile
Pro His His Val
Pro His Val His
Pro Lys Met Asn
Pro Lys Asn Met
Pro Met Lys Asn
Pro Met Asn Lys
Pro Asn Lys Met
Pro Asn Met Lys
Pro Val His His
Gln Asp Lys Val
Gln Asp Val Lys
Gln Ile Gln Thr
Gln Ile Thr Gln
Gln Lys Asp Val
Gln Lys Val Asp
Gln Leu Gln Thr
Gln Leu Thr Gln
Gln Gln Ile Thr
Gln Gln Leu Thr
Gln Gln Thr Ile
Gln Gln Thr Leu
Gln Thr Ile Gln
Gln Thr Leu Gln
Gln Thr Gln Ile
Gln Thr Gln Leu
Gln Val Asp Lys
Gln Val Lys Asp
Arg Ala Gly Trp
Arg Ala Trp Gly
Arg Gly Ala Trp
Arg Gly Trp Ala
Arg Trp Ala Gly
Arg Trp Gly Ala
Thr Ile Gln Gln
Thr Leu Gln Gln
Thr Gln Ile Gln
Thr Gln Leu Gln
Thr Gln Gln Ile
Thr Gln Gln Leu
Val Asp Lys Gln
Val Asp Gln Lys
Val Glu Glu Ile
Val Glu Glu Leu
Val Glu Ile Glu
Val Glu Lys Asn
Val Glu Leu Glu
Val Glu Asn Lys
Val His His Pro
Val His Pro His
Val Ile Glu Glu
Val Lys Asp Gln
Val Lys Glu Asn
Val Lys Asn Glu
Val Lys Gln Asp
Val Leu Glu Glu
Val Asn Glu Lys
Val Asn Lys Glu
Val Pro His His
Val Gln Asp Lys
Val Gln Lys Asp
Trp Ala Gly Arg
Trp Ala Arg Gly
Trp Gly Ala Arg
Trp Gly Arg Ala
Trp Arg Ala Gly
Trp Arg Gly Ala
Prednicarbate
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000893 - Anti-Inflammatory Agents
(3a,5b,7a,12a), 3,12-dihydroxy-7-(sulfooxy)-Cholan-24-oic acid
C24H40O8S (488.24437600000005)
(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid
C24H40O8S (488.24437600000005)
7-Sulfocholic acid
C24H40O8S (488.24437600000005)
N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide
L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
(2S)-5-[[(2S)-6-amino-1-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
N-[(2S)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-N-{1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-L-threoninamide
N-[(2R)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-N-{1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-L-threoninamide
[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
6-methoxy-3-[[2-oxolanylmethyl-[1-[1-(phenylmethyl)-5-tetrazolyl]propyl]amino]methyl]-1H-quinolin-2-one
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methyl-2-pyrrolyl)acetamide
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
(4R,7S,14R,17R)-4,14-diphenyl-1,5,11,15-tetrazatricyclo[15.3.0.07,11]icosane-2,6,12,16-tetrone
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
(2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
(1S,9R,10R,11R)-10-(hydroxymethyl)-5-(2-methoxyphenyl)-6-oxo-12-propyl-N-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-5-(2-methoxyphenyl)-6-oxo-12-propyl-N-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C25H36N4O4S (488.24571360000004)
cyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanone
cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanone
1-[3-(Succinimidyloxycarbonyl)propyl]-9-(dimethylamino)-11,11-dimethyl-2,3,4,11-tetrahydro-1-azonianaphthacene
C29H34N3O4+ (488.25491840000007)
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]propanamide
(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
C24H40O8S (488.24437600000005)
[(2R,3S,4aS,7R,8R,8aS)-3-acetyloxy-7-formyl-4-hydroxy-6-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2-3H-1-benzofuran]-2-yl] acetate
2,3-dihydroxypropyl [2-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propyl] hydrogen phosphate
C24H41O8P (488.25389160000003)
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C24H41O8P (488.25389160000003)
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C24H41O8P (488.25389160000003)
(E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide
C27H37ClN2O4 (488.24417120000004)
kanamycin X(3+)
An organic cation obtained by protonation of the primary amino groups of kanamycin X.
kanamycin D(3+)
An organic cation obtained by protonation of the primary amino groups of kanamycin D.
TMC-89A
An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-[(2R)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-L-threonylleucinyl group. It is a proteasome inhibitor isolated from Streptomyces sp. TC 1087.
TMC-89B
An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-[(2S)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-L-threonylleucinyl group. It is a proteasome inhibitor isolated from Streptomyces sp. TC 1087.
3-deamino-3-hydroxykanamycin C(3+)
An organic cation obtained by protonation of the primary amino groups of 3-deamino-3-hydroxykanamycin C.
1,8-bis(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-methylbut-2-enoate
(2s)-n-[(1s,2r)-2-hydroxy-1-{[(1s,2r)-2-hydroxy-1-{[(2r)-1-[(2r)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-2-methylpropanediimidic acid
n-(2-hydroxy-1-{[2-hydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}propyl)-2-methylpropanediimidic acid
(1s,2s,5s,6r,10r,11r,13s,14s,18s,20r)-6-(furan-3-yl)-11,15,18-trihydroxy-5,10-dimethyl-8-oxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-20-yl acetate
(1r,2s,3r,7s,9s,12r,13r,15r,17r,18r)-13-(furan-2-yl)-15-isopropyl-4,6,6,12-tetramethyl-8,14,19,20-tetraoxahexacyclo[13.3.1.1³,¹⁸.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]icos-4-ene-2,3,9-triol
(1s,6r,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2z)-2-methylbut-2-enoate
2,14-bis(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
methyl 2-[13-(furan-3-yl)-17-hydroxy-6,6,8,12,17-pentamethyl-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
4-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl}-3,5-dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
12-o-acetylphorbol-13-tigliate
{"Ingredient_id": "HBIN000923","Ingredient_name": "12-o-acetylphorbol-13-tigliate","Alias": "2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (2E)-(; 12-O-Acetylphorbol-13-tigliate; 250268-55-4; 2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2E)- (","Ingredient_formula": "C27H36O8","Ingredient_Smile": "CC=C(C)C(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)O)CO","Ingredient_weight": "488.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14162","TCMID_id": "485","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6451045","DrugBank_id": "NA"}
13-(furan-3-yl)-15-isopropyl-4,6,6,12-tetramethyl-8,14,19,20-tetraoxahexacyclo[13.3.1.1³,¹⁸.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]icos-4-ene-2,3,9-triol
(1s,7s,8z,12r,13s,14r,15s)-14,15-bis(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
methyl 2-[6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]acetate
11-formyl-9,13-dihydroxy-16-isopropyl-1,19-dimethyl-8-oxo-3,5-dioxapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]henicosa-11,15-dien-7-yl acetate
methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]-2-hydroxyacetate
3-{[(3z,5e,8s,9e,11z,14s,16r,17e,19e,24r)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-3-oxopropanoic acid
3-[(14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl)oxy]-3-oxopropanoic acid
(2r)-n-[(1r,2r)-2-hydroxy-1-{[(1s,2r)-2-hydroxy-1-{[(2r)-1-[(2s)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-2-methylpropanediimidic acid
2,4-dihydroxy-6-[12-(sulfooxy)heptadecyl]benzoic acid
C24H40O8S (488.24437600000005)
methyl 2-[(1r,2s,4r,6s,7s,9r,11r,12s,13r,17s)-6-(furan-3-yl)-13-(2-hydroxypropan-2-yl)-1,7,12-trimethyl-15-oxo-3,10,16-trioxapentacyclo[7.7.1.0²,⁴.0²,⁷.0¹²,¹⁷]heptadecan-11-yl]acetate
(1r,2s,7r,8z,12r,13r,14r)-2,14-bis(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
(1s,2r,6r,10r,11s,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2e)-2-methylbut-2-enoate
10,15,19-trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-3,9,11-trien-5-yl acetate
(3s,6s,12s,15s)-3,12-dibenzyl-5,14-dihydroxy-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadeca-4,13-diene-2,11-dione
(3r,6s,12r,15s)-3,12-dibenzyl-5,14-dihydroxy-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadeca-4,13-diene-2,11-dione
ethyl 5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate
methyl 2-[(1r,3s,7r,8s,9r,12s,13s,17r)-13-(furan-3-yl)-17-hydroxy-6,6,8,12,17-pentamethyl-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1s,2r,5r,6r,10r,11s,13s,14r,16s)-6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]acetate
(9s,10r,11r)-11-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl 2-methylpropanoate
(1s,3r,3as,4s,8r,8ar)-1,8-bis(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
methyl 2-[(1s,2r)-2-[(3ar,4s,7r,7ar)-4-[(s)-furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
(4e,9e)-9-(chloromethylidene)-n-[(3e)-3-methoxy-5-(2-methyl-5-oxo-2h-pyrrol-1-yl)-5-oxopent-3-en-1-yl]-6-methyltetradec-4-en-13-ynimidic acid
C27H37ClN2O4 (488.24417120000004)
16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-14-(3-methyl-5-oxooxolane-3-carbonyl)-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-ene-3,11-dione
(1s,2s,6r,10s,11r,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2e)-2-methylbut-2-enoate
6-(acetyloxy)-3,6,9-trimethyl-3-[(2-methylbut-2-enoyl)oxy]-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
3-{[(5e,8s,14s,16r,17e,19e,24r)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-3-oxopropanoic acid
(1s,3r,3as,4s,8s,8ar)-1,8-bis(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
(2s)-n-[(1s)-2-hydroxy-1-{[(1s)-2-hydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}propyl]-2-methylpropanediimidic acid
(1s,5r,6r,14r,15s,17r,19s,22s)-10,15,19-trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-3,9,11-trien-5-yl acetate
(1s,2s,4r,7s,9r,13s,14r,16r,17s)-4-hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-{[(3r)-5-oxooxolan-3-yl]methyl}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-en-16-yl acetate
6,16-dihydroxy-4,14-diphenyl-1,5,11,15-tetraazatricyclo[15.3.0.0⁷,¹¹]icosa-5,15-diene-2,12-dione
methyl 2-[(1s,2r)-2-[(1s,4ar,5r,6r,8as)-1-(furan-3-yl)-4a,5-dihydroxy-5,8a-dimethyl-3-oxo-tetrahydro-1h-2-benzopyran-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
14-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-en-16-yl acetate
13-(furan-2-yl)-15-isopropyl-4,6,6,12-tetramethyl-8,14,19,20-tetraoxahexacyclo[13.3.1.1³,¹⁸.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]icos-4-ene-2,3,9-triol
methyl (2r)-2-[(1r,2s,5r,6r,10s,11s,13s,14r,16s)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]-2-hydroxyacetate
(1r,2s,4s,7r,9s,10r,13s,14r,19r)-11-formyl-9,13-dihydroxy-16-isopropyl-1,19-dimethyl-8-oxo-3,5-dioxapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]henicosa-11,15-dien-7-yl acetate
methyl 2-[(1r,2s)-2-[(3ar,4s,7r,7ar)-4-[(r)-furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
(3s,3ar,4s,6s,6as,9as,9bs)-6-(acetyloxy)-3,6,9-trimethyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-2-methylbut-2-enoate
(1'r,2r,2's,4'r,5's,6'r,8'r,11'r)-5'-[(2s,3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl (2e)-2-methylbut-2-enoate
9-(chloromethylidene)-n-[3-methoxy-5-(2-methyl-5-oxo-2h-pyrrol-1-yl)-5-oxopent-3-en-1-yl]-6-methyltetradec-4-en-13-ynimidic acid
C27H37ClN2O4 (488.24417120000004)
ethyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate
1-(3-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)-3-methylbutan-1-one
(4r)-4-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl}-3,5-dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
(1s,2s,6s,7s,9r,13r,14r,16r,17s)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-14-[(3r)-3-methyl-5-oxooxolane-3-carbonyl]-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-ene-3,11-dione
2,4-dihydroxy-6-[(12s)-12-(sulfooxy)heptadecyl]benzoic acid
C24H40O8S (488.24437600000005)