Exact Mass: 552.3563038

Exact Mass Matches: 552.3563038

Found 409 metabolites which its exact mass value is equals to given mass value 552.3563038, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pandamine

2-(Dimethylamino)-N-[11-hydroxy-3-isopropyl-5,8-dioxo-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14(1),15-trien-4-yl]-3-methylpentanamide

C31H44N4O5 (552.3311534)

Triterpenoid

(4AS,6as,6BR,8ar,9R,10S,12ar,12BR,14BS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(sulphooxy)methyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C30H48O7S (552.3120578)

Triterpenoid is a byproduct from squalene 2,3-oxide decomposition. Squalene is a precursor to sterol biosynthesis. Terpenes are derived biosynthetically from units of isoprene, which has the molecular formula C5H8. The basic molecular formulas of terpenes are multiples of that, (C5H8)n where n is the number of linked isoprene units. This is called the isoprene rule or the C5 rule. The isoprene units may be linked together "head to tail" to form linear chains or they may can be arranged to form rings. One can consider the isoprene unit as one of natures preferred building blocks. [HMDB] Triterpenoid is a byproduct from squalene 2,3-oxide decomposition. Squalene is a precursor to sterol biosynthesis. Terpenes are derived biosynthetically from units of isoprene, which has the molecular formula C5H8. The basic molecular formulas of terpenes are multiples of that, (C5H8)n where n is the number of linked isoprene units. This is called the isoprene rule or the C5 rule. The isoprene units may be linked together "head to tail" to form linear chains or they may can be arranged to form rings. One can consider the isoprene unit as one of natures preferred building blocks.

Elastin

(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide

C27H48N6O6 (552.3635148)

Furohyperforin

3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

C35H52O5 (552.3814542)

Constituent of Hypericum perforatum (St. Johns Wort). Furohyperforin is found in tea, alcoholic beverages, and herbs and spices. Furohyperforin is found in alcoholic beverages. Furohyperforin is a constituent of Hypericum perforatum (St. Johns Wort).

Oxepahyperforin

8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-en-1-yl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.0³,⁸]decane-2,10-dione

C35H52O5 (552.3814542)

Oxepahyperforin is found in alcoholic beverages. Oxepahyperforin is a constituent of Hypericum perforatum (St. Johns Wort)

Cyclopassifloic acid E

4,6,14-trihydroxy-7,12,16-trimethyl-15-[2,5,6-trihydroxy-5-(propan-2-yl)hexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

C31H52O8 (552.3661992)

Cyclopassifloic acid E is found in fruits. Cyclopassifloic acid E is a constituent of Passiflora edulis (passion fruit) Constituent of Passiflora edulis (passion fruit). Cyclopassifloic acid E is found in fruits.

8-Hydroxyhyperforin 8,1-hemiacetal

6-(2-hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-en-1-yl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.0⁴,¹⁰]tridec-3-ene-2,11-dione

C35H52O5 (552.3814542)

8-Hydroxyhyperforin 8,1-hemiacetal is found in alcoholic beverages. 8-Hydroxyhyperforin 8,1-hemiacetal is a constituent of Hypericum perforatum (St. Johns Wort).

Lithocholate 3-O-glucuronide

(2S,3S,4S,5R,6R)-6-{[(1S,2S,5S,7R,10R,11S,14R,15R)-14-[(2R)-4-carboxybutan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C30H48O9 (552.3298158)

Analysis of sequential bile samples by thin-layer chromatography (TLC) demonstrated that lithocholic acid glucuronide was present in bile throughout the course of the experiments and that its secretion rate paralleled that of total isotope secretion. Initial confirmation of the identity of this metabolite was obtained by the recovery of labeled lithocholic acid after beta-glucuronidase hydrolysis of bile samples. Glucuronates; Lithocholic Acid. Analysis of sequential bile samples by thin-layer chromatography (TLC) demonstrated that lithocholic acid glucuronide was present in bile throughout the course of the experiments and that its secretion rate paralleled that of total isotope secretion. Initial confirmation of the identity of this metabolite was obtained by the recovery of labeled lithocholic acid after beta-glucuronidase hydrolysis of bile samples. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

Arbekacin

(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide

C22H44N6O10 (552.3118764)

Arbekacin is only found in individuals that have used or taken this drug. It is an semisynthetic aminoglycoside antibiotic. Often used for treatment of multi-resistant bacterial infection such as methicillin-resistant Staphylococcus aureus (MRSA). Amikacin is also nephrotoxic and ototoxic.Aminoglycosides, such as Arbekacin, inhibit protein synthesis in susceptible bacteria by irreversibly binding to bacterial 30S and 16S ribosomal subunits. Specifically Arbekacin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic

Nonadecylresorcinol glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-nonadecylphenoxy)oxane-2-carboxylic acid

C31H52O8 (552.3661992)

Nonadecylresorcinol glucuronide is an alkylresorcinol metabolite. It is a potential plasma biomarker of whole grain intake (PMID: 25527657).

Elastin

1-{2-[(1-hydroxy-2-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-3-methylpentylidene]amino}ethylidene)amino]-3-methylbutanoyl}-N-methylpyrrolidine-2-carboximidate

C27H48N6O6 (552.3635148)

Gilteritinib

6-Ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-2-pyrazinecarboxamide

C29H44N8O3 (552.3536194)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

Lithocholic acid glucuronide

6-{[14-(4-carboxybutan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C30H48O9 (552.3298158)

D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

Rehmannic acid

2,2,6a,6b,9,9,12a-heptamethyl-4-[(2-methylbut-2-enoyl)oxy]-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C35H52O5 (552.3814542)

DG(8:0/PGE2/0:0)

(2S)-3-Hydroxy-2-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}propyl octanoic acid

C31H52O8 (552.3661992)

DG(8:0/PGE2/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/PGE2/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

DG(PGE2/8:0/0:0)

(2S)-1-Hydroxy-3-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}propan-2-yl octanoic acid

C31H52O8 (552.3661992)

DG(PGE2/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(PGE2/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

DG(8:0/0:0/PGE2)

(2R)-2-Hydroxy-3-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}propyl octanoic acid

C31H52O8 (552.3661992)

DG(8:0/0:0/PGE2) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.

DG(PGE2/0:0/8:0)

(2S)-2-Hydroxy-3-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}propyl octanoic acid

C31H52O8 (552.3661992)

DG(PGE2/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.

DG(8:0/PGD2/0:0)

(2S)-3-Hydroxy-2-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}propyl octanoic acid

C31H52O8 (552.3661992)

DG(8:0/PGD2/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/PGD2/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

DG(PGD2/8:0/0:0)

(2S)-1-Hydroxy-3-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}propan-2-yl octanoic acid

C31H52O8 (552.3661992)

DG(PGD2/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(PGD2/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

DG(8:0/0:0/PGD2)

(2R)-2-Hydroxy-3-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}propyl octanoic acid

C31H52O8 (552.3661992)

DG(8:0/0:0/PGD2) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.

DG(PGD2/0:0/8:0)

(2S)-2-Hydroxy-3-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}propyl octanoic acid

C31H52O8 (552.3661992)

DG(PGD2/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.

DG(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0)

(2S)-1-hydroxy-3-(octanoyloxy)propan-2-yl (5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate

C31H52O8 (552.3661992)

DG(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0)

(2S)-3-Hydroxy-2-(octanoyloxy)propyl (5R,6R,7E,9E,11Z,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid

C31H52O8 (552.3661992)

DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

DG(8:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

(2R)-2-Hydroxy-3-(octanoyloxy)propyl (5R,6R,7E,9E,11Z,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid

C31H52O8 (552.3661992)

DG(8:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.

DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/8:0)

(2S)-2-hydroxy-3-(octanoyloxy)propyl (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate

C31H52O8 (552.3661992)

DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.

3,9-epoxy-20alphaF-(2-ethyl-4-methyl-pyrrole-3-carbonyloxy)-25-methyl-(5beta)-14beta,13-[1]oxa[4]azapentano-18-nor-pregna-7,16-diene-3beta,11alpha-diol|Batrachotoxinin A-20-(2-ethyl-4-methyl-pyrrol-3-carboxylat) od. Homobatrachotoxin od. Isobatrachotoxin|homobatrachotoxin|O20-(2-ethyl-4-methyl-pyrrole-3-carbonyl)-batrachotoxinin-A

3,9-epoxy-20alphaF-(2-ethyl-4-methyl-pyrrole-3-carbonyloxy)-25-methyl-(5beta)-14beta,13-[1]oxa[4]azapentano-18-nor-pregna-7,16-diene-3beta,11alpha-diol|Batrachotoxinin A-20-(2-ethyl-4-methyl-pyrrol-3-carboxylat) od. Homobatrachotoxin od. Isobatrachotoxin|homobatrachotoxin|O20-(2-ethyl-4-methyl-pyrrole-3-carbonyl)-batrachotoxinin-A

C32H44N2O6 (552.3199204)

(19E,19E)-18,18-dideoxy-22,22-dinor-toxiferin-I|(19E,19E)-18,18-Didesoxy-22,22-dinor-toxiferin-I|Bisnordihydrotoxiferine|bisnordihydroxiferin|nordihydrotoxiferine

C38H40N4 (552.32528)

manzamine J

C36H48N4O (552.3827918)

3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labd-7-ene-2-O-beta-fucopyranoside

C31H52O8 (552.3661992)

epi-manzamine D

C36H48N4O (552.3827918)

furohyperforin isomer 1

C35H52O5 (552.3814542)

klysimplexin L

C30H48O9 (552.3298158)

(8E,12E,14E)-7-acetoxy-3,6,17,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide

C30H48O9 (552.3298158)

6-Benzoyl-(2alpha,3beta,5alpha,6beta,25S)-Spirostane-2,3,6-triol

C34H48O6 (552.3450708)

20S,23R,24R-23-chloro-20,24-epoxy-dammarane-3alpha,24,25-triol 3-acetate

C32H53ClO5 (552.3581318)

2-Deoxy-.alpha.-ecdysone, 22-O-benzoate

C34H48O6 (552.3450708)

(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide|(8E,12E,14E)-7-acetoxy-6,10,12,16,20-pentamethyl-3,6,16,21-tetrahydroxy-18,19-epoxytricosa-8,12,14-trien-11-olide|epi-(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19epoxytricosa-8,12,14-trien-11-olide

(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide|(8E,12E,14E)-7-acetoxy-6,10,12,16,20-pentamethyl-3,6,16,21-tetrahydroxy-18,19-epoxytricosa-8,12,14-trien-11-olide|epi-(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19epoxytricosa-8,12,14-trien-11-olide

C30H48O9 (552.3298158)

2-(beta-D-glucopyranosyloxy)-3,16-dihydroxy-4,4,9,14-tetramethyl-19-norpregn-5-en-20-one

C30H48O9 (552.3298158)

3,4-dihydromanzamine J

C36H48N4O (552.3827918)

tuscoron B

C30H48O9 (552.3298158)

trichilinin C

C33H44O7 (552.3086874)

Sanjoinine F

C31H44N4O5 (552.3311534)

propolone B

C33H44O7 (552.3086874)

(22beta)-22-{[3-methyl-1-oxobut-2-enyl]oxy}-3-oxoolean-12-en-28-oic acid|lantadane A

C35H52O5 (552.3814542)

attenuatumione E

C35H52O5 (552.3814542)

cochinchinoid J

C33H44O7 (552.3086874)

hyphenrone A

C35H52O5 (552.3814542)

Sanjoinine G1

C31H44N4O5 (552.3311534)

C29H48N2O8

C29H48N2O8 (552.3410488)

klysimplexin H

C30H48O9 (552.3298158)

(1S,2R,3S,4R,5R,6S,8E,11S,12R,13S,14S)-3-acetoxy-2,12-dibutanoyloxycladiell-8-ene-4,11-diol

C30H48O9 (552.3298158)

C35H52O5

C35H52O5 (552.3814542)

C33H44O7

C33H44O7 (552.3086874)

(22beta)-22-{[(2Z)-2-methyl-1-oxobut-2-enyl]oxy}-3-oxoolean-12-en-28-oic acid|lantadane A

C35H52O5 (552.3814542)

14-Deacetyleurylene

C32H56O7 (552.4025826)

halolitoralin A

C27H48N6O6 (552.3635148)

SCHEMBL10630869

C29H48N2O8 (552.3410488)

C34H48O6

C34H48O6 (552.3450708)

Drevogenin I

C31H52O8 (552.3661992)

milnamide C

C31H44N4O5 (552.3311534)

3beta,27-dihydroxyolean-12-en-28-oic acid 3-sulfate ester

C30H48O7S (552.3120578)

11-(2-Methylbutanoyl),12-benzoyl-Tenacigenin B|11alpha-O-2-methylbutyryl-12beta-O-benzoyltenacigenin B

C33H44O7 (552.3086874)

O-Vanillyl-cyclovirobuxin D

C34H52N2O4 (552.3926872)

Ala Val His Val Lys

C25H44N8O6 (552.3383644)

2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACID

C33H44O7 (552.3086874)

His Ile Lys Arg

(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]hexanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

9SK62WCU1W

OLEAN-12-EN-28-OIC ACID, 22-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-3-OXO-, (22.BETA.)-

C35H52O5 (552.3814542)

Rehmannic acid is a natural product found in Lantana camara, Combretum sundaicum, and other organisms with data available.

Furohyperforin

3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.0^{1,5}]dodec-5-ene-7,12-dione

C35H52O5 (552.3814542)

(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

"(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid"

C30H48O9 (552.3298158)

Arbekacin

Arbekacinum, Habekacin, Arbekacin sulfate

C22H44N6O10 (552.3118764)

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials A kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring. C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic

Phe Lys Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

C26H44N6O5S (552.3093734)

Phe Lys Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

C26H44N6O5S (552.3093734)

Phe Met Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]hexanamido]hexanoic acid

C26H44N6O5S (552.3093734)

His Ile Gln Arg

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

His Ile Arg Lys

(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

His Ile Arg Gln

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

His Lys Ile Arg

(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

His Lys Leu Arg

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

His Lys Arg Ile

(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid

C24H44N10O5 (552.3495974)

His Lys Arg Leu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid

C24H44N10O5 (552.3495974)

His Leu Lys Arg

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]hexanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

His Leu Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

His Leu Arg Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

His Leu Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

His Gln Ile Arg

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

His Gln Leu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

His Gln Arg Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid

C23H40N10O6 (552.313214)

His Gln Arg Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid

C23H40N10O6 (552.313214)

His Arg Ile Lys

(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

His Arg Ile Gln

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

His Arg Lys Ile

(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylpentanoic acid

C24H44N10O5 (552.3495974)

His Arg Lys Leu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanoic acid

C24H44N10O5 (552.3495974)

His Arg Leu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

His Arg Leu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

His Arg Gln Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-methylpentanoic acid

C23H40N10O6 (552.313214)

His Arg Gln Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-4-methylpentanoic acid

C23H40N10O6 (552.313214)

Ile His Lys Arg

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

Ile His Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Ile His Arg Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Ile His Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Ile Lys His Arg

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

Ile Lys Arg His

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Ile Gln His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Ile Gln Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Ile Arg His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Ile Arg His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Ile Arg Lys His

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Ile Arg Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Lys Phe Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

C26H44N6O5S (552.3093734)

Lys Phe Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

C26H44N6O5S (552.3093734)

Lys His Ile Arg

(2S)-5-carbamimidamido-2-[(2S,3S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]pentanoic acid

C24H44N10O5 (552.3495974)

Lys His Leu Arg

(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]pentanoic acid

C24H44N10O5 (552.3495974)

Lys His Arg Ile

(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]pentanamido]-3-methylpentanoic acid

C24H44N10O5 (552.3495974)

Lys His Arg Leu

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]pentanamido]-4-methylpentanoic acid

C24H44N10O5 (552.3495974)

Lys Ile His Arg

(2S)-5-carbamimidamido-2-[(2S)-2-[(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]pentanoic acid

C24H44N10O5 (552.3495974)

Lys Ile Arg His

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanamido]pentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Lys Lys Phe Met

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C26H44N6O5S (552.3093734)

Lys Lys Met Phe

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C26H44N6O5S (552.3093734)

Lys Leu His Arg

(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]pentanoic acid

C24H44N10O5 (552.3495974)

Lys Leu Arg His

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]pentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Lys Met Phe Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]hexanoic acid

C26H44N6O5S (552.3093734)

Lys Met Lys Phe

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]hexanamido]-3-phenylpropanoic acid

C26H44N6O5S (552.3093734)

Lys Arg His Ile

(2S,3S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanoic acid

C24H44N10O5 (552.3495974)

Lys Arg His Leu

(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoic acid

C24H44N10O5 (552.3495974)

Lys Arg Ile His

(2S)-2-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Lys Arg Leu His

(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Leu His Lys Arg

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

Leu His Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Leu His Arg Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Leu His Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Leu Lys His Arg

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C24H44N10O5 (552.3495974)

Leu Lys Arg His

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Leu Gln His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Leu Gln Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Leu Arg His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Leu Arg His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Leu Arg Lys His

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Leu Arg Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Met Phe Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]hexanamido]hexanoic acid

C26H44N6O5S (552.3093734)

Met Lys Phe Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-3-phenylpropanamido]hexanoic acid

C26H44N6O5S (552.3093734)

Met Lys Lys Phe

(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]hexanamido]-3-phenylpropanoic acid

C26H44N6O5S (552.3093734)

Gln His Ile Arg

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Gln His Leu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Gln His Arg Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid

C23H40N10O6 (552.313214)

Gln His Arg Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid

C23H40N10O6 (552.313214)

Gln Ile His Arg

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Gln Ile Arg His

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Gln Leu His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C23H40N10O6 (552.313214)

Gln Leu Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Gln Arg His Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanoic acid

C23H40N10O6 (552.313214)

Gln Arg His Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoic acid

C23H40N10O6 (552.313214)

Gln Arg Ile His

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Gln Arg Leu His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Arg His Ile Lys

(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Arg His Ile Gln

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Arg His Lys Ile

(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-methylpentanoic acid

C24H44N10O5 (552.3495974)

Arg His Lys Leu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-4-methylpentanoic acid

C24H44N10O5 (552.3495974)

Arg His Leu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Arg His Leu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Arg His Gln Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanoic acid

C23H40N10O6 (552.313214)

Arg His Gln Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-methylpentanoic acid

C23H40N10O6 (552.313214)

Arg Ile His Lys

(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Arg Ile His Gln

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Arg Ile Lys His

(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Arg Ile Gln His

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Arg Lys His Ile

(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanoic acid

C24H44N10O5 (552.3495974)

Arg Lys His Leu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoic acid

C24H44N10O5 (552.3495974)

Arg Lys Ile His

(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Arg Lys Leu His

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Arg Leu His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

C24H44N10O5 (552.3495974)

Arg Leu His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H40N10O6 (552.313214)

Arg Leu Lys His

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H44N10O5 (552.3495974)

Arg Leu Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Arg Gln His Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanoic acid

C23H40N10O6 (552.313214)

Arg Gln His Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoic acid

C23H40N10O6 (552.313214)

Arg Gln Ile His

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Arg Gln Leu His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H40N10O6 (552.313214)

Homobatrachotoxin

C32H44N2O6 (552.3199204)

D009676 - Noxae > D011042 - Poisons > D014688 - Venoms

AVHVK

Ala-Val-His-Val-Lys

C25H44N8O6 (552.3383644)

APLRP

Ala-Pro-Leu-Arg-Pro

C25H44N8O6 (552.3383644)

Lithocholate 3-O-glucuronide

C30H48O9 (552.3298158)

Triterpenoid

C30H48O7S (552.3120578)

8-Hydroxyhyperforin 8,1-hemiacetal

6-(2-hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-en-1-yl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.0^{4,10}]tridec-3-ene-2,11-dione

C35H52O5 (552.3814542)

Oxepahyperforin

8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-en-1-yl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.0^{3,8}]decane-2,10-dione

C35H52O5 (552.3814542)

Cyclopassifloic acid E

4,6,14-trihydroxy-7,12,16-trimethyl-15-[2,5,6-trihydroxy-5-(propan-2-yl)hexan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid

C31H52O8 (552.3661992)

ST 24:1;O3;GlcA

3alpha-(beta-D-glucopyranuronosyloxy)-5beta-cholan-24-oic acid

C30H48O9 (552.3298158)

D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

6-myristatesucrose

2-O-(6-O-tetradecanoyl)-alpha-D-glucopyranosyl)-beta-D-fructofuranose

C26H48O12 (552.3145608)

Z-D-Tyt(tBu)-OH.DCHA

C33H48N2O5 (552.3563038)

arbekacin sulfate

C22H44N6O10 (552.3118764)

Z-Tyr(tBu)-OH.DCHA

C33H48N2O5 (552.3563038)

Aliskiren Carboxylic Acid

C30H52N2O7 (552.3774321999999)

Sodium ionophore III

C34H52N2O4 (552.3926872)

1,5-BIS[BIS(3,5-DIMETHYLPHENYL)PHOSPHINO]PENTANE

C37H46P2 (552.3074576)

2-{bis[3-(dimethylamino)propyl]amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium

C34H42N5S+ (552.3160752)

Gilteritinib

C29H44N8O3 (552.3536194)

8-Hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

C35H52O5 (552.3814542)

20-Deoxo-20-dihydro-12,13-deepoxyrosamicin

C31H54NO7+ (552.3900074000001)

diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium

C28H40N8O4+2 (552.317236)

1-O-Octadecyl-2-O-acetyl-sn-glycero-3-phosphocholine

C28H59NO7P+ (552.4028934)

Arachidoyl lysophosphatidyl choline

C28H59NO7P+ (552.4028934)

Nonadecylresorcinol glucuronide

C31H52O8 (552.3661992)

DG(8:0/PGE2/0:0)

C31H52O8 (552.3661992)

DG(PGE2/8:0/0:0)

C31H52O8 (552.3661992)

DG(8:0/0:0/PGE2)

C31H52O8 (552.3661992)

DG(PGE2/0:0/8:0)

C31H52O8 (552.3661992)

DG(8:0/PGD2/0:0)

C31H52O8 (552.3661992)

DG(PGD2/8:0/0:0)

C31H52O8 (552.3661992)

DG(8:0/0:0/PGD2)

C31H52O8 (552.3661992)

DG(PGD2/0:0/8:0)

C31H52O8 (552.3661992)

DG(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0)

C31H52O8 (552.3661992)

DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0)

C31H52O8 (552.3661992)

DG(8:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C31H52O8 (552.3661992)

DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/8:0)

C31H52O8 (552.3661992)

2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

Lithocholic acid glucuronide

C30H48O9 (552.3298158)

D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

O-(1-O-Octadecyl-2-O-acetyl-L-glycero-3-phospho)choline

C28H59NO7P+ (552.4028934)

Euphorbia substance SPr 5

C34H48O6 (552.3450708)

A natural product found in Euphorbia prolifera.

Lithocholic acid 24-glucuronide

C30H48O9 (552.3298158)

1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

C31H44N4O5 (552.3311534)

[O-(1-O-Hexadecyl-2-O-butanoyl-L-glycero-3-phospho)choline]anion

C28H59NO7P+ (552.4028934)

1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

C31H44N4O5 (552.3311534)

1-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

C31H44N4O5 (552.3311534)

1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

C31H44N4O5 (552.3311534)

Lys-Lys-Met-Phe

C26H44N6O5S (552.3093734)

CID 73707357

C38H40N4 (552.32528)

[O-(1-O-Hexadecanoyl-2-O-propanoyl-L-glycero-3-phospho)choline]anion

C27H55NO8P+ (552.36651)

2-[(2-Butanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2,3-dihydroxypropyl [3-[(Z)-docos-13-enoxy]-2-hydroxypropyl] hydrogen phosphate

C28H57O8P (552.3790852)

[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-henicos-11-enoate

C27H53O9P (552.3427018)

Mgdg O-18:5_3:0

C30H48O9 (552.3298158)

PE-Cer 12:0;2O/13:0;O

C27H57N2O7P (552.3903181999999)

PE-Cer 13:0;2O/12:0;O

C27H57N2O7P (552.3903181999999)

[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-hydroxypropyl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C35H52O5 (552.3814542)

[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate

C26H49O10P (552.3063184)

[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-hexadec-9-enoate

C26H49O10P (552.3063184)

[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tetradec-9-enoate

C26H49O10P (552.3063184)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate

C26H49O10P (552.3063184)

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate

C26H49O10P (552.3063184)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-heptadec-9-enoate

C26H49O10P (552.3063184)

[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate

C26H49O10P (552.3063184)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-heptadec-9-enoate

C26H49O10P (552.3063184)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-tetradec-9-enoate

C26H49O10P (552.3063184)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-tridec-9-enoate

C26H49O10P (552.3063184)

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate

C26H49O10P (552.3063184)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-pentadec-9-enoate

C26H49O10P (552.3063184)

2-[(2-Decanoyloxy-3-nonanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

2-[Hydroxy-(2-hydroxy-3-icosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[(2-Hexadecanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

2-[Hydroxy-(3-hydroxy-2-icosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[Hydroxy-(3-octanoyloxy-2-undecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-hydroxypropyl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C35H52O5 (552.3814542)

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-hydroxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C35H52O5 (552.3814542)

[1-carboxy-3-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(E)-undec-4-enoyl]oxypropoxy]propyl]-trimethylazanium

C31H54NO7+ (552.3900074000001)

[1-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-hydroxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C35H52O5 (552.3814542)

[1-carboxy-3-[2-[(4E,7E)-deca-4,7-dienoyl]oxy-3-[(E)-undec-4-enoyl]oxypropoxy]propyl]-trimethylazanium

C31H54NO7+ (552.3900074000001)

2-[(3-Acetyloxy-2-heptadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

2-[(2-Hexanoyloxy-3-tetradecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

[1-carboxy-3-[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium

C31H54NO7+ (552.3900074000001)

2-[Hydroxy-(3-pentanoyloxy-2-tetradecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

2-[(2-Dodecanoyloxy-3-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

2-[(3-Hexanoyloxy-2-tridecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

2-[(3-Butanoyloxy-2-pentadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C27H55NO8P+ (552.36651)

[1-carboxy-3-[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-pentanoyloxypropoxy]propyl]-trimethylazanium

C31H54NO7+ (552.3900074000001)

2-[(2-Dodecanoyloxy-3-octoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[Hydroxy-(3-pentadecoxy-2-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[(2-Heptanoyloxy-3-tridecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[(3-Heptadecoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[Hydroxy-(3-nonoxy-2-undecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[Hydroxy-(2-nonanoyloxy-3-undecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[(3-Dodecoxy-2-octanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

2-[(2-Decanoyloxy-3-decoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C28H59NO7P+ (552.4028934)

lithocholic acid 24-O-(beta-D-glucuronide)

C30H48O9 (552.3298158)

A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of lithodeoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.

lithocholic acid 3-O-(beta-D-glucuronide)

C30H48O9 (552.3298158)

A steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3.

MGDG O-21:5

C30H48O9 (552.3298158)

MGMG 21:5

C30H48O9 (552.3298158)

PA O-16:0/7:2;O3

C26H49O10P (552.3063184)

PA O-16:0/8:1;O2

C27H53O9P (552.3427018)

PA O-20:0/4:1;O2

C27H53O9P (552.3427018)

PA O-23:2;O3

C26H49O10P (552.3063184)

PA O-24:1;O2

C27H53O9P (552.3427018)

PA 14:0/9:1;O2

C26H49O10P (552.3063184)

PA 18:0/5:1;O2

C26H49O10P (552.3063184)

PA 23:1;O2

C26H49O10P (552.3063184)

LPG O-22:1

C28H57O8P (552.3790852)

LPG P-22:0

C28H57O8P (552.3790852)

LPG P-22:0 or LPG O-22:1

C28H57O8P (552.3790852)

PG O-20:2;O

C26H49O10P (552.3063184)

PG P-16:0/4:1;O

C26H49O10P (552.3063184)

LPG 20:2;O

C26H49O10P (552.3063184)

PG 16:0/4:1

C26H49O10P (552.3063184)

PG 16:1/4:0

C26H49O10P (552.3063184)

PG 18:1/2:0

C26H49O10P (552.3063184)

PG 20:1

C26H49O10P (552.3063184)

LPEth 25:6

C30H49O7P (552.3215734)

LPM 26:6

C30H49O7P (552.3215734)

PEth 22:0;O

C27H53O9P (552.3427018)

PM 23:0;O

C27H53O9P (552.3427018)

CerPE 14:0;O2/11:0;O

C27H57N2O7P (552.3903181999999)

CerPE 15:0;O2/10:0;O

C27H57N2O7P (552.3903181999999)

CerPE 25:0;O2;O

C27H57N2O7P (552.3903181999999)

ST 25:0;O2;GlcA

C31H52O8 (552.3661992)

ST 27:6;O;GlcA

C33H44O7 (552.3086874)

ST 24:2;O4;Hex

C30H48O9 (552.3298158)

ST 25:1;O3;Hex

C31H52O8 (552.3661992)

ST 26:0;O2;Hex

C32H56O7 (552.4025826)

ST 27:7;O2;Hex

C33H44O7 (552.3086874)

ST 28:6;O;Hex

C34H48O6 (552.3450708)

bisnordihydrotoxyferine

C38H40N4 (552.32528)

(1r,3s,4r,5r,7s)-4-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione

C35H52O5 (552.3814542)

3,9,15-trimethyl-6,12-bis(2-methylpropyl)-18-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

C27H48N6O6 (552.3635148)

(1s,4r)-4-hydroxy-1-[(2r,5r)-5-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2s,5r)-5-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl acetate

C32H56O7 (552.4025826)

(1s,3s,4s,6s,7s,8r,11s,12s,14s,15r,16r)-4,6,14-trihydroxy-7,12,16-trimethyl-15-[(2s,5s)-2,5,6-trihydroxy-5-isopropylhexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

C31H52O8 (552.3661992)

5-(acetyloxy)-14-(butanoyloxy)-6,11-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadec-9-en-4-yl butanoate

C30H48O9 (552.3298158)

(1s,3s,8r,9r,10s)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

C35H52O5 (552.3814542)

(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-1-[(2s,4r,5s)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

C32H53ClO5 (552.3581318)

(4ar,5r,6as,6br,8ar,12ar,12br,14bs)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(sulfooxy)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O7S (552.3120578)

18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl 2-methylbut-2-enoate

C33H44O7 (552.3086874)

2-(dimethylamino)-3-phenyl-n-[5,8,11-trihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,12,15-pentaen-4-yl]propanimidic acid

C31H44N4O5 (552.3311534)

2-{7-[3-(2,3-dihydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl}-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate

C30H48O9 (552.3298158)

(28e)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene

(28e)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene

C38H40N4 (552.32528)

4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C35H52O5 (552.3814542)

6-{3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-hydroxy-2-methylheptan-2-yl benzoate

C34H48O6 (552.3450708)

8-hydroxyhyperforin-8,1-hemiacetal

C35H52O5 (552.3814542)

{"Ingredient_id": "HBIN013780","Ingredient_name": "8-hydroxyhyperforin-8,1-hemiacetal","Alias": "NA","Ingredient_formula": "C35H52O5","Ingredient_Smile": "CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C","Ingredient_weight": "552.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10218","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129316606","DrugBank_id": "NA"}

(4e)-7,10-dihydroxy-2-[(2e,4e)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate

C30H48O9 (552.3298158)

5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(sulfooxy)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O7S (552.3120578)

(3s,6s,9s,12s,15s,18s)-3-[(2s)-butan-2-yl]-6,12,18-trimethyl-9,15-bis(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

C27H48N6O6 (552.3635148)

(1s,2r,4as,6as,6br,8ar,9r,10s,12ar,12br,14bs)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid

C30H48O7S (552.3120578)

(1s,3as,5as,7r,8s,9ar,9br,11ar)-1-[(4r,5r)-5-[(3s)-3,4-dihydroxy-3-methylbutyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5as,7r,8s,9ar,9br,11ar)-1-[(4r,5r)-5-[(3s)-3,4-dihydroxy-3-methylbutyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C30H48O9 (552.3298158)

(2s,3r)-2-[(1s,3s,7s,8s,11s,12s,14s,15r,16r)-14-(acetyloxy)-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-4-en-15-yl]-6-methyl-5-methylidene-4-oxoheptan-3-yl acetate

C34H48O6 (552.3450708)

1-{9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1⁵,⁹.0¹,¹⁴.0²,¹¹.0⁶,¹¹]tricosa-2,21-dien-22-yl}ethyl 2-ethyl-4-methyl-1h-pyrrole-3-carboxylate

C32H44N2O6 (552.3199204)

[(1s,3r,7s,8r,11r,12s,15r,16r)-7-(hydroxymethyl)-12,16-dimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl]methoxysulfonic acid

C30H48O7S (552.3120578)

2-{3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-6-methylheptan-3-yl benzoate

C34H48O6 (552.3450708)

1-[(1r,2r,3as,3br,7r,8s,9as,9br,11ar)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

1-[(1r,2r,3as,3br,7r,8s,9as,9br,11ar)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

C30H48O9 (552.3298158)

(1s,3as,5as,7r,8s,9ar,9br,11ar)-1-[(4r,5r)-5-[(3r)-3,4-dihydroxy-3-methylbutyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5as,7r,8s,9ar,9br,11ar)-1-[(4r,5r)-5-[(3r)-3,4-dihydroxy-3-methylbutyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C30H48O9 (552.3298158)

3-[5,7-dihydroxy-4a,8-dimethyl-2-(5,7,9,11-tetrahydroxy-10,12-dimethyltridec-2-en-2-yl)-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid

C31H52O8 (552.3661992)

(1r,2r,6s,10s,11r,13s,14r,15r)-14-[(4e,6e)-deca-2,4,6-trien-1-yloxy]-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-methylpropanoate

(1r,2r,6s,10s,11r,13s,14r,15r)-14-[(4e,6e)-deca-2,4,6-trien-1-yloxy]-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-methylpropanoate

C34H48O6 (552.3450708)

[(1s,3r,7s,8r,11s,12s,15r,16r)-7-(hydroxymethyl)-12,16-dimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl]methoxysulfonic acid

C30H48O7S (552.3120578)

2,2,6a,6b,9,9,12a-heptamethyl-5-[(3-methylbut-2-enoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

5-(5-hydroxy-3-methylpentyl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

C31H52O8 (552.3661992)

(1s,4s,8s,9s,10r)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C35H52O5 (552.3814542)

2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.1⁷,¹⁰.1¹⁶,¹⁹]triacontane-3,12,21-trione

C30H48O9 (552.3298158)

(2s,3s,4as,5r,8as)-5-[(3s)-5-hydroxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

C31H52O8 (552.3661992)

(4e)-2-[(2e,4e)-7-[3-(2,3-dihydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate

C30H48O9 (552.3298158)

(1r,9z,11s,13s,17r,25z,27s,28z,33s,35s,37z,38s)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene

(1r,9z,11s,13s,17r,25z,27s,28z,33s,35s,37z,38s)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene

C38H40N4 (552.32528)

[(1s,3r,7s,8r,11r,12s,15r)-7-(hydroxymethyl)-12,16-dimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl]methoxysulfonic acid

C30H48O7S (552.3120578)

2-{4-ethyl-6-[4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxo-2h-furan-2-yl)undec-2-en-2-yl]-3,6-dihydro-2h-pyran-2-yl}propanoic acid

C30H48O9 (552.3298158)

2-{4-ethyl-6-[(2e)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxo-2h-furan-2-yl)undec-2-en-2-yl]-3,6-dihydro-2h-pyran-2-yl}propanoic acid

C30H48O9 (552.3298158)

(1r,6s,9r,10s,13s)-6-(2-hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-en-1-yl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.0⁴,¹⁰]tridec-3-ene-2,11-dione

C35H52O5 (552.3814542)

(1r,2r,3s,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl tetradecanoate

C26H48O12 (552.3145608)

(1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.1⁷,¹⁰.1¹⁶,¹⁹]triacontane-3,12,21-trione

C30H48O9 (552.3298158)

(4ar,5r,6as,6br,8ar,10s,12ar,12br,14bs)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(sulfooxy)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O7S (552.3120578)

(1s,2s,3s,4r,5s,6r,7r,8s,10e,13s,14s)-5-(acetyloxy)-14-(butanoyloxy)-6,13-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadec-10-en-4-yl butanoate

C30H48O9 (552.3298158)

4-hydroxy-1,4-bis[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]butyl acetate

C32H56O7 (552.4025826)

1-{1,3a,11-trihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl acetate

C30H48O9 (552.3298158)

(2e)-3-[(1s,2r,4as,5r,7r,8r,8as)-5,7-dihydroxy-4a,8-dimethyl-2-[(2e,5s,7r,9r,10s,11s)-5,7,9,11-tetrahydroxy-10,12-dimethyltridec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid

(2e)-3-[(1s,2r,4as,5r,7r,8r,8as)-5,7-dihydroxy-4a,8-dimethyl-2-[(2e,5s,7r,9r,10s,11s)-5,7,9,11-tetrahydroxy-10,12-dimethyltridec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid

C31H52O8 (552.3661992)

28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene

28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene

C38H40N4 (552.32528)

1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl 13-methylpentadecanoate

C29H48N2O8 (552.3410488)

2,2,6a,6b,9,9,12a-heptamethyl-5-[(2-methylbut-2-enoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraen-1-yl acetate

C32H56O7 (552.4025826)

(3s,6s,9s,12s,15s,18s)-3,9,15-trimethyl-6,12-bis(2-methylpropyl)-18-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

C27H48N6O6 (552.3635148)

(2r)-n-[(3s,4r,7s,11r)-7-[(2s)-butan-2-yl]-5,8,11-trihydroxy-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,12,15-pentaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C31H44N4O5 (552.3311534)

(1s,4r,8s,9s,10r)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C35H52O5 (552.3814542)

[7-(hydroxymethyl)-12,16-dimethyl-15-(6-methyl-4-oxoheptan-2-yl)-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl]methoxysulfonic acid

C30H48O7S (552.3120578)

(2s,3s,4as,5r,8as)-5-[(3s)-5-hydroxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

C31H52O8 (552.3661992)

(2r,4's,5s,6r,8'r,10'e,13'r,14'e,16'z)-6-ethyl-21'-hydroxy-18'-methoxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',14',16',20',22'-hexaen-2'-one

(2r,4's,5s,6r,8'r,10'e,13'r,14'e,16'z)-6-ethyl-21'-hydroxy-18'-methoxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',14',16',20',22'-hexaen-2'-one

C33H44O7 (552.3086874)

4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C35H52O5 (552.3814542)

(4r,4as,6as,6br,8ar,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-{[(2e)-2-methylbut-2-enoyl]oxy}-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

(2s)-2-(dimethylamino)-3-phenyl-n-[(3s,4s,7s,11r)-5,8,11-trihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,12,15-pentaen-4-yl]propanimidic acid

C31H44N4O5 (552.3311534)

(1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl (2e)-2-methylbut-2-enoate

(1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl (2e)-2-methylbut-2-enoate

C33H44O7 (552.3086874)

(1s,2r,4r,5z,12r,13s,16z)-25-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-11,22-diazapentacyclo[11.11.2.1²,²².0²,¹².0⁴,¹¹]heptacosa-5,16,25-trien-13-ol

C36H48N4O (552.3827918)

1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl hexadecanoate

C29H48N2O8 (552.3410488)

(4ar,5s,6as,6br,8ar,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-5-[(3-methylbut-2-enoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

5-(acetyloxy)-14-(butanoyloxy)-6,13-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadec-10-en-4-yl butanoate

C30H48O9 (552.3298158)

(5r,6s)-6-[(1r,3as,5as,7s,9ar,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylheptan-2-yl benzoate

C34H48O6 (552.3450708)

2-(dimethylamino)-3-phenyl-n-[5,8,11-trihydroxy-3-isopropyl-7-(sec-butyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,12,15-pentaen-4-yl]propanimidic acid

C31H44N4O5 (552.3311534)

(1r,3r,4r,5s,7r)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-en-1-yl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.0³,⁸]decane-2,10-dione

C35H52O5 (552.3814542)

(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-1-[(2s,4r,5r)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

C32H53ClO5 (552.3581318)

1-[5-(3,4-dihydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C30H48O9 (552.3298158)

7,10-dihydroxy-2-{6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl}-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate

C30H48O9 (552.3298158)

(4r)-2,2,6a,6b,9,9,12a-heptamethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

(1r,2r,3r,4s,5r,6s,7s,8r,9z,11s,14r)-5-(acetyloxy)-14-(butanoyloxy)-6,11-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadec-9-en-4-yl butanoate

C30H48O9 (552.3298158)

butyl (2s,3s,4r,5s,6r)-6-{[(1s,2r,3r,4ar,7s,10ar)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylate

C30H48O9 (552.3298158)

(4r,4as,6as,6br,8ar,12ar,12br,14br)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(3-methylbut-2-enoyl)oxy]-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

1-[4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

C32H53ClO5 (552.3581318)

(4ar,5s,6as,6br,8ar,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

C35H52O5 (552.3814542)

(2e,6s,7s,10e,14e,18s,19s,22e)-6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraen-1-yl acetate

C32H56O7 (552.4025826)

(1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl (2z)-2-methylbut-2-enoate

C33H44O7 (552.3086874)

(1r,3r,4r,5s,7r,8s)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-en-1-yl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.0³,⁸]decane-2,10-dione

C35H52O5 (552.3814542)

(2r)-2-[(2r,6r)-4-ethyl-6-[(2e,4s,7s,8r,9r,10s,11s)-4,9,11-trihydroxy-7-methoxy-4,8,10-trimethyl-11-[(2r)-5-methyl-3-oxo-2h-furan-2-yl]undec-2-en-2-yl]-3,6-dihydro-2h-pyran-2-yl]propanoic acid

C30H48O9 (552.3298158)

6-ethyl-21'-hydroxy-18'-methoxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',14',16',20',22'-hexaen-2'-one

C33H44O7 (552.3086874)

(1s)-1-[(1s,3as,3br,7s,9ar,9bs,11r,11as)-1,3a,11-trihydroxy-7-{[(2r,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl acetate

(1s)-1-[(1s,3as,3br,7s,9ar,9bs,11r,11as)-1,3a,11-trihydroxy-7-{[(2r,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl acetate

C30H48O9 (552.3298158)

1-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone

C30H48O9 (552.3298158)

(2s,3r)-2-[(1r,3as,5ar,7s,9ar,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-6-methylheptan-3-yl benzoate

C34H48O6 (552.3450708)

(2r,4's,5s,6r,8'r,10'e,13'r,14'e)-6-ethyl-21'-hydroxy-18'-methoxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',14',16',20',22'-hexaen-2'-one

(2r,4's,5s,6r,8'r,10'e,13'r,14'e)-6-ethyl-21'-hydroxy-18'-methoxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-1'(24'),10',14',16',20',22'-hexaen-2'-one

C33H44O7 (552.3086874)

10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O7S (552.3120578)