Exact Mass: 602.2601
Exact Mass Matches: 602.2601
Found 368 metabolites which its exact mass value is equals to given mass value 602.2601
,
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
Mesoporphyrin IX dichloride
Remdesivir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors COVID info from DrugBank, Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent > C190794 - SARS-CoV-2 Antiviral Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Calyflorenone D
19-Hydroxybaccatin III
19-Hydroxybaccatin III is a natural product found in Taxus wallichiana, Taxus wallichiana var. wallichiana, and Taxus sumatrana with data available.
piperchabaoside B|trans-cinnamyl alcohol O-beta-D-glucopyranosyl-(1->4)-6-O-(S)-3-hydroxy-3-methylglutaroyl-beta-D-glucopyranoside
2,6-di-O-(beta-D-glucopyranosyl)-1-O-hexanoyl-beta-D-glucopyranose|nonioside E
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
1,1,2,2-Tetrahydro-2,2,5,5,10,10-hexahydroxy-2,2,6,6-tetramethyl-7,7-dimethoxy-9,9-bianthracene-4,4(3H,3H)-dione
(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
2,2,7,7-tetrahydroxy-3,3,4,4,6,6-hexamethoxy-9,9,10,10-tetrahydro-1,1-biphenanthryl|amplumthrin
COC1=C(C=2C=C3CC(CC(C3=C(C2C(=C1C)O)O)=O)(C)O)C1=C2CC(CC(C2=C(C2=C(C(=C(C=C12)OC)C)O)O)=O)(C)O
3,5,3,4-tetrahydroxy-8,5-bis(3-methylbut-2-enyl)flavanone-7-O-beta-D-glucopyranoside|dilobenol E
(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
His Gln Tyr Arg
5,4-Dihydroxy-6-C-prenylflavanone 4-xylosyl-(1->2)-rhamnoside
Genkwadaphnin
12-beta-(Benzoyloxy)daphnetoxin is a natural product found in Daphne genkwa, Daphne oleoides, and other organisms with data available.
Asp Pro Trp Trp
Asp Trp Pro Trp
Asp Trp Trp Pro
Glu Glu Tyr Tyr
Glu Tyr Glu Tyr
Glu Tyr Tyr Glu
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 Asn Phe Trp
His Asn Trp Phe
His Gln Arg Tyr
His Arg Gln Tyr
His Arg Tyr Gln
His Trp Phe Asn
His Trp Asn Phe
His Tyr Phe His
His Tyr His Phe
His Tyr Gln Arg
His Tyr Arg Gln
Asn Phe His Trp
Asn Phe Trp His
Asn His Phe Trp
Asn His Trp Phe
Asn Gln Arg Trp
Asn Gln Trp Arg
Asn Arg Gln Trp
Asn Arg Trp Gln
Asn Trp Phe His
Asn Trp His Phe
Asn Trp Gln Arg
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 His Gln Tyr
Arg His Tyr Gln
Arg Asn Gln Trp
Arg Asn Trp Gln
Arg Gln His Tyr
Arg Gln Asn Trp
Arg Gln Trp Asn
Arg Gln Tyr His
Arg Trp Asn Gln
Arg Trp Gln Asn
Arg Tyr His Gln
Arg Tyr Gln His
Trp Asp Pro Trp
Trp Asp Trp Pro
Trp Phe His Asn
Trp Phe Asn His
Trp His Phe Asn
Trp His Asn Phe
Trp Asn Phe His
Trp Asn His Phe
Trp Asn Gln Arg
Trp Asn Arg Gln
Trp Pro Asp Trp
Trp Pro Trp Asp
Trp Gln Asn Arg
Trp Gln Arg Asn
Trp Arg Asn Gln
Trp Arg Gln Asn
Trp Trp Asp Pro
Trp Trp Pro Asp
Tyr Glu Glu Tyr
Tyr Glu Tyr Glu
Tyr Phe His His
Tyr His Phe His
Tyr His His Phe
Tyr His Gln Arg
Tyr His Arg Gln
Tyr Gln His Arg
Tyr Gln Arg His
Tyr Arg His Gln
Tyr Arg Gln His
Tyr Tyr Glu Glu
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
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.
Remdesivir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors COVID info from DrugBank, Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent > C190794 - SARS-CoV-2 Antiviral Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(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
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[2-[4-[[(5R)-3-oxo-5-phenyl-4-morpholinyl]methyl]-1-triazolyl]ethyl]-3-phenylpropanamide
[(Z)-2-[(16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enyl] hydrogen sulate
[(16S)-5,7-dihydroxy-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxidanesulfonic acid
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
(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
(1s,2s,5s)-2-[(1s)-1-carboxy-2-({2-[(2s,3e,4s)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
(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
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
(2r,5r,7s,11r,15s,17r)-7,15-dihydroxy-2,11,20,21-tetramethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁴,¹⁹]henicosa-1(21),3(8),13,19-tetraen-9-one
(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
2-[1-carboxy-2-({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
(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
2',4,5',7,10,10'-hexahydroxy-2,7'-dimethoxy-2',3,6',7-tetramethyl-1',3',6,8-tetrahydro-[1,9'-bianthracene]-4',5-dione
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"}
2''-epiframeroside
{"Ingredient_id": "HBIN005582","Ingredient_name": "2''-epiframeroside","Alias": "NA","Ingredient_formula": "C27H38O15","Ingredient_Smile": "CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC(C3CCC(C3C(=O)O)C)C(=O)O","Ingredient_weight": "602.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11968448","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"}