Exact Mass: 602.2856
Exact Mass Matches: 602.2856
Found 500 metabolites which its exact mass value is equals to given mass value 602.2856
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxidized dinoflagellate luciferin
A member of the class of bilenes that is 1,2,3,21-tetrahydro-5,7-ethanobilene-a-19(16H),5(1),5(2)-trione which is substituted at positions 2, 8, 13 and 18 by methyl groups and at positions 1, 3, 12 and 17 by carboxy, 2-carboxyethyl, ethyl and vinyl groups, respectively (the 1S,2S,3S diastereoisomer).
magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-4-oxo-11-propyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
Lymecycline
Lymecycline is only found in individuals that have used or taken this drug. It is a tetracycline with a 7-chloro substitution.Lymecycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Lymecycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. Cells become resistant to lymecycline by at least two mechanisms: efflux and ribosomal protection. In efflux, a resistance gene encodes a membrane protein that actively pumps lymecycline out of the cell. This is the mechanism of action of the tetracycline resistance gene on the artificial plasmid pBR322. In ribosomal protection, a resistance gene encodes a protein which binds to the ribosome and prevents lymecycline from acting on the ribosome. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
19-Hydroxybaccatin III
19-Hydroxybaccatin III is a natural product found in Taxus wallichiana, Taxus wallichiana var. wallichiana, and Taxus sumatrana with data available.
2,6-di-O-(beta-D-glucopyranosyl)-1-O-hexanoyl-beta-D-glucopyranose|nonioside E
Trapoxin A
A homodetic cyclic tetrapeptide constructed from L-phenylalanyl (x2), D-pipecolinyl and L-2-amino-8-oxo-9,10-epoxydecanoyl residues. D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
cyclo-(Tzl-L-Ile-L-Thr-L-Phe-L-Thr-Gly)|microcyclamide MZ602
12-(2,4-Undecadienoyl),13-Ac-(4beta,7beta,9alphabeta,12beta,13alpha)-7-Hydroperoxy-4,9,12,13,20-pentahydroxy-1,5-tigliadien-3-one
(11aR*)-8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3a,4,12,13-tetrahydro-3a,7,9-trihydroxy-3-(hydroxymethyl)-13,13-dimethyl-10-(3-methylbut-2-en-1-yl)-4,12-methanocyclopenta[c]furo[2,3-d]xanthen-6(1H)-one|gamboketanol
(rel-1R,3aR,3bS,4S,5aS,7aS,8aR,11aR,13aS,15S,15aR,16aS,16bS,17aS)(acetyloxy)tetradecahydro-1-hydroxy-1,4,5a,13,13-pentamethyl-2H,8H-7a,16a-epoxy-10H-3,9,12,17-tetraoxacyclopent[3,3a]azuleno[6,5:5,6]cyclooct[1,2,3-cd]-as-indacene-2,5,10,16(1H,13H)-tetrone|lancifodilactone O
3,5,3,4-tetrahydroxy-8,5-bis(3-methylbut-2-enyl)flavanone-7-O-beta-D-glucopyranoside|dilobenol E
6-O-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]-beta-D-fructofuranosyl-(2->1)-alpha-D-glucopyranoside
(rel-1R,3aS,3bR,4S,5aR,7aR,8aS,11aS,13aR,15R,15aS,16aR,16bR,17aS)-15-(acetyloxy)tetradecahydro-4-hydroxy-1,4,5a,13,13-pentamethyl-2H,8H-7a,16a-epoxy-10H-3,9,12,17-tetraoxacyclopent[3,3a]azuleno[6,5:5,6]cyclooct[1,2,3-cd]-as-indacene-2,5,10,16(1H,13H)-tetrone|lancifodilactone P
11alpha,15alpha-diacetoxybrachycarpon-22(23)-ene|15alpha-acetoxycleomblynol A
(1S,2R,3R,4R,7R,8S,10S,13S,17R)-3-(acetyloxy)-17-(furan-3-yl)hexadecahydro-1,2,7-trihydroxy-4,8,13-trimethyl-11,15-dioxo-4,10-(methanooxymethano)cyclopenta[a]phenanthren-20-yl 2-methylpropanoate|1,3-epi-29-isobutyroyloxy-2alpha-hydroxyamoorastatone
Lys His Tyr Arg
His Gln Tyr Arg
His Tyr Arg Lys
5,4-Dihydroxy-6-C-prenylflavanone 4-xylosyl-(1->2)-rhamnoside
4,15,26-trihydroxy-1-oxa-4,9,15,20,26,31-hexazacyclotritriacontane-5,8,16,19,27,30-hexone
4,15,26-trihydroxy-1-oxa-4,9,15,20,26,31-hexazacyclotritriacontane-5,8,16,19,27,30-hexone_major
Asp Pro Trp Trp
Asp Trp Pro Trp
Asp Trp Trp Pro
Glu Ile Arg Trp
Glu Ile Trp Arg
Glu Leu Arg Trp
Glu Leu Trp Arg
Glu Arg Ile Trp
Glu Arg Leu Trp
Glu Arg Trp Ile
Glu Arg Trp Leu
Glu Trp Ile Arg
Glu Trp Leu Arg
Glu Trp Arg Ile
Glu Trp Arg Leu
Phe His His Tyr
Phe His Asn Trp
Phe His Trp Asn
Phe His Tyr His
Phe Asn His Trp
Phe Asn Trp His
Phe Trp His Asn
Phe Trp Asn His
Phe Tyr His His
His Phe His Tyr
His Phe Asn Trp
His Phe Trp Asn
His Phe Tyr His
His His Phe Tyr
His His Tyr Phe
His Lys Arg Tyr
His Lys Tyr Arg
His Asn Phe Trp
His Asn Trp Phe
His Gln Arg Tyr
His Arg Lys Tyr
His Arg Gln Tyr
His Arg Tyr Lys
His Arg Tyr Gln
His Trp Phe Asn
His Trp Asn Phe
His Tyr Phe His
His Tyr His Phe
His Tyr Lys Arg
His Tyr Gln Arg
His Tyr Arg Gln
Ile Glu Arg Trp
Ile Glu Trp Arg
Ile Arg Glu Trp
Ile Arg Trp Glu
Ile Val Trp Trp
Ile Trp Glu Arg
Ile Trp Arg Glu
Ile Trp Val Trp
Ile Trp Trp Val
Lys His Arg Tyr
Lys Asn Arg Trp
Lys Asn Trp Arg
Lys Arg His Tyr
Lys Arg Asn Trp
Lys Arg Trp Asn
Lys Arg Tyr His
Lys Trp Asn Arg
Lys Trp Arg Asn
Lys Tyr His Arg
Lys Tyr Arg His
Leu Glu Arg Trp
Leu Glu Trp Arg
Leu Arg Glu Trp
Leu Arg Trp Glu
Leu Val Trp Trp
Leu Trp Glu Arg
Leu Trp Arg Glu
Leu Trp Val Trp
Leu Trp Trp Val
Asn Phe His Trp
Asn Phe Trp His
Asn His Phe Trp
Asn His Trp Phe
Asn Lys Arg Trp
Asn Lys Trp Arg
Asn Gln Arg Trp
Asn Gln Trp Arg
Asn Arg Lys Trp
Asn Arg Gln Trp
Asn Arg Trp Lys
Asn Arg Trp Gln
Asn Trp Phe His
Asn Trp His Phe
Asn Trp Lys Arg
Asn Trp Gln Arg
Asn Trp Arg Lys
Asn Trp Arg Gln
Pro Asp Trp Trp
Pro Trp Asp Trp
Pro Trp Trp Asp
Gln His Arg Tyr
Gln His Tyr Arg
Gln Asn Arg Trp
Gln Asn Trp Arg
Gln Arg His Tyr
Gln Arg Asn Trp
Gln Arg Trp Asn
Gln Arg Tyr His
Gln Trp Asn Arg
Gln Trp Arg Asn
Gln Tyr His Arg
Gln Tyr Arg His
Arg Glu Ile Trp
Arg Glu Leu Trp
Arg Glu Trp Ile
Arg Glu Trp Leu
Arg His Lys Tyr
Arg His Gln Tyr
Arg His Tyr Lys
Arg His Tyr Gln
Arg Ile Glu Trp
Arg Ile Trp Glu
Arg Lys His Tyr
Arg Lys Asn Trp
Arg Lys Trp Asn
Arg Lys Tyr His
Arg Leu Glu Trp
Arg Leu Trp Glu
Arg Asn Lys Trp
Arg Asn Gln Trp
Arg Asn Trp Lys
Arg Asn Trp Gln
Arg Gln His Tyr
Arg Gln Asn Trp
Arg Gln Trp Asn
Arg Gln Tyr His
Arg Trp Glu Ile
Arg Trp Glu Leu
Arg Trp Ile Glu
Arg Trp Lys Asn
Arg Trp Leu Glu
Arg Trp Asn Lys
Arg Trp Asn Gln
Arg Trp Gln Asn
Arg Tyr His Lys
Arg Tyr His Gln
Arg Tyr Lys His
Arg Tyr Gln His
Val Ile Trp Trp
Val Leu Trp Trp
Val Trp Ile Trp
Val Trp Leu Trp
Val Trp Trp Ile
Val Trp Trp Leu
Trp Asp Pro Trp
Trp Asp Trp Pro
Trp Glu Ile Arg
Trp Glu Leu Arg
Trp Glu Arg Ile
Trp Glu Arg Leu
Trp Phe His Asn
Trp Phe Asn His
Trp His Phe Asn
Trp His Asn Phe
Trp Ile Glu Arg
Trp Ile Arg Glu
Trp Ile Val Trp
Trp Ile Trp Val
Trp Lys Asn Arg
Trp Lys Arg Asn
Trp Leu Glu Arg
Trp Leu Arg Glu
Trp Leu Val Trp
Trp Leu Trp Val
Trp Asn Phe His
Trp Asn His Phe
Trp Asn Lys Arg
Trp Asn Gln Arg
Trp Asn Arg Lys
Trp Asn Arg Gln
Trp Pro Asp Trp
Trp Pro Trp Asp
Trp Gln Asn Arg
Trp Gln Arg Asn
Trp Arg Glu Ile
Trp Arg Glu Leu
Trp Arg Ile Glu
Trp Arg Lys Asn
Trp Arg Leu Glu
Trp Arg Asn Lys
Trp Arg Asn Gln
Trp Arg Gln Asn
Trp Val Ile Trp
Trp Val Leu Trp
Trp Val Trp Ile
Trp Val Trp Leu
Trp Trp Asp Pro
Trp Trp Ile Val
Trp Trp Leu Val
Trp Trp Pro Asp
Trp Trp Val Ile
Trp Trp Val Leu
Tyr Phe His His
Tyr His Phe His
Tyr His His Phe
Tyr His Lys Arg
Tyr His Gln Arg
Tyr His Arg Lys
Tyr His Arg Gln
Tyr Lys His Arg
Tyr Lys Arg His
Tyr Gln His Arg
Tyr Gln Arg His
Tyr Arg His Lys
Tyr Arg His Gln
Tyr Arg Lys His
Tyr Arg Gln His
Lymecycline
A tetracycline-based broad-spectrum antibiotic. It is approximately 5000 times more soluble than tetracycline base and is unique amongst tetracyclines in that it is absorbed by the "active transport" process across the intestinal wall. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
6-O-Linolenylsucrose
2-((e)-3-(5,5-dimethyl-3-[(e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene)-1-propenyl)-1,3,3-trimethyl-3h-indolium perchlorate
1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidenegold(I) hydroxide, Min. 97
Tetrakis(2-methoxyisobutylisocyanide)copper(i) tetrafluoroborate
Withalongolide K
A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia.
(31R)-8-ethyl-71-12-methylbacteriochlorophyllide c
3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;hydrate
1-cyclohexyl-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnosyl-(1->3)-alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnose
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
N-[(5S,6R,9R)-5-methoxy-8-[(4-methoxyphenyl)methyl]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
N-[(5R,6S,9S)-5-methoxy-8-[(4-methoxyphenyl)methyl]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
3-cyclohexyl-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-[(4-methoxyphenyl)sulfonylamino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
1-cyclohexyl-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-cyclohexyl-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
N-[(5R,6S,9R)-5-methoxy-8-[(4-methoxyphenyl)methyl]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
N-[(5S,6R,9S)-5-methoxy-8-[(4-methoxyphenyl)methyl]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
6-[4-[2,3-Dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-5-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
methyl (9S,10S,12S,13E,16S,18S)-13-ethylidene-4-hydroxy-8-methyl-18-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate
(5R,6Z)-6-[(3S,4S)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-3,4-dihydropyrrol-2-ylidene]-2-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-methyl-4-oxo-1H-cyclopenta[b]pyrrole-5-carboxylic acid
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(3S,4S,5E)-4-(2-carboxyethyl)-5-[2-({5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl}methyl)-3-methyl-4,5-dioxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-3-methyl-L-proline
beta-casochemotide-1(1-)
A peptide anion obtained from the deprotonation of the two carboxy groups, and protonation of the primary amino group of beta-casochemotide-1. It is the major species at pH 7.3.
20-(acetyloxy)-6-(furan-3-yl)-4,11,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
(1r,14s,15s)-6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylprop-1-en-1-yl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-2(11),5,7,9,16(25),19,21,23-octaene-3,17-dione
(1r,2s,4r,6r,9r,10r,11r,12s,14r,15r,18r)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2e)-3-phenylprop-2-enoate
(1r,2s,5r,9s,10r,12r)-5-[(r)-furan-3-yl(methoxy)methyl]-12-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-6-(2-methoxy-2-oxoethyl)-1,5,11,11-tetramethyl-13-oxotricyclo[7.3.1.0²,⁷]tridec-6-en-10-yl 2-methylpropanoate
[(1r,2s,3s,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-2,8,9-trihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
methyl (1s,4as,6s,7r,7ar)-6-{[(2r)-3-hydroxy-2-[(1s,2r,3s)-2-(methoxycarbonyl)-3-methylcyclopentyl]propanoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
23-hydroxy-9,9,18,23,25-pentamethyl-5,14,19,24-tetraoxo-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosan-12-yl acetate
(1s,2s,4s,5r,7s,9s,10r,11s,12s,14s,15s,16r,19s)-10-(acetyloxy)-5-hydroxy-16-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-11,15-dimethyl-17-oxo-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-yl acetate
4-({3-benzoyl-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl hexanoate
(1r,2s,3s,5s,8r,10r,11s,13r,16s)-8,16-bis(acetyloxy)-5,11-dihydroxy-10-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-6-methyl-9-oxo-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1s,3r,4s,7r,10r)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,2r,3r,5s,7s,9s,10r,11r,12s,14s,15r,16s,17s,22s,23s,24s,25r)-14-(acetyloxy)-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacos-18-en-10-yl acetate
(7s,10s,13s,16s)-10-benzyl-16-[(2s)-butan-2-yl]-7,13-bis[(1r)-1-hydroxyethyl]-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
10-(acetyloxy)-5-hydroxy-16-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-11,15-dimethyl-17-oxo-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-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 benzoate
4,8,15,19,26,30-hexahydroxy-1-oxa-4,9,15,20,26,31-hexaazacyclotritriaconta-8,19,30-triene-5,16,27-trione
11-epi-21-hydroxytoonacilide
{"Ingredient_id": "HBIN000420","Ingredient_name": "11-epi-21-hydroxytoonacilide","Alias": "NA","Ingredient_formula": "C32H42O11","Ingredient_Smile": "CC(=O)OC1C(C(C23C(O2)CC(C3(C1OC(=O)C)C)C4=CC(=O)OC4O)(C)C)C5(C=CC(=O)C(C5CC(=O)OC)(C)C)C","Ingredient_weight": "602.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6934","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101243071","DrugBank_id": "NA"}
11-epi-23-hydroxytoonacilide
{"Ingredient_id": "HBIN000421","Ingredient_name": "11-epi-23-hydroxytoonacilide","Alias": "NA","Ingredient_formula": "C32H42O11","Ingredient_Smile": "CC(=O)OC1C(C(C23C(O2)CC(C3(C1OC(=O)C)C)C4=CC(OC4=O)O)(C)C)C5(C=CC(=O)C(C5CC(=O)OC)(C)C)C","Ingredient_weight": "602.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6935","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101243072","DrugBank_id": "NA"}
19-hydroxybaccatin iii
{"Ingredient_id": "HBIN002195","Ingredient_name": "19-hydroxybaccatin iii","Alias": "NA","Ingredient_formula": "C31H38O12","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C","Ingredient_weight": "602.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113927","DrugBank_id": "NA"}
7-epi-19-hydroxybaccatin iii
{"Ingredient_id": "HBIN013169","Ingredient_name": "7-epi-19-hydroxybaccatin iii","Alias": "NA","Ingredient_formula": "C31H38O12","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6933","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}