Exact Mass: 510.2735294
Exact Mass Matches: 510.2735294
Found 500 metabolites which its exact mass value is equals to given mass value 510.2735294
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Physagulin A
Physagulin A is found in fruits. Physagulin A is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
LysoPG(18:1(9Z)/0:0)
LysoPG(18:1(9Z)/0:0) is a lysophosphatidylglycerol. It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic. However, it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Lysophosphatidylglycerols can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. LysoPG(18:1(9Z)/0:0), in particular, consists of one chain of oleic acid at the C-1 position.
(2S,3S,4R)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Butanediamide, N4-(5-(acetylamino)-1-((methylamino)carbonyl)pentyl)-N1-hydroxy-2-(((4-hydroxyphenyl)thio)methyl)-3-(2-methylpropyl)-, (2S-(N4(R*),2R*,3S*))-
PA(2:0/18:1(12Z)-2OH(9,10))
PA(2:0/18:1(12Z)-2OH(9,10)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(18:1(12Z)-2OH(9,10)/2:0)
PA(18:1(12Z)-2OH(9,10)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(18:1(12Z)-2OH(9,10)/2:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
Schweinfurthin H
A stilbenoid isolated from Macaranga alnifolia and has been shwon to exhibit cytotoxic activity.
16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
(20R)-15alpha-hydroxy-8beta,9alpha,14alpha,17alpha-pregn-4-en-3-one 20-O-beta-D-glucopyranoside
(2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxy-6-oxocholest-7-en-26-oic acid
11-hydroxy-7Halpha,10Hbeta-eremophil-4(15)-ene 11-O-beta-D-(3-O,4-O,6-O-triacetyl)glucopyranoside
6beta-cinnamoyl--5alpha,7beta-dihydroxy-12,16-epoxy-12alpha-methoxycassa-13(15)-en-16-one|neocaesalpin G
16beta-acetoxy-6alpha,7alpha-epoxy-5alpha-hydroxy-1-oxowitha-2,17(20),24-trienolide
3a-hydroxy-8-methyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indole-2-carboxylic acid 2-acetoxy-8a-hydroxy-5-isopropenyl-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl ester|fischerindoline
17-hydroxypregnanolone-glucuronide|O1-(17-hydroxy-20-oxo-5beta-pregnan-3alpha-yl)-beta-D-glucopyranuronic acid|O1-(17-Hydroxy-20-oxo-5beta-pregnan-3alpha-yl)-beta-D-glucopyranuronsaeure
5beta-myrtenyl-9alpha-hydroxy-4,5-dihydroatripliciolide-8-O-angelate
ent-15,16-trihydroxypimar-8(14)-en-3-yl beta-glucopyranoside-15,16-acetonide
His Gln Ala Arg
His Gln Val Lys
Zeylasterone
Zeylasterone is a natural product found in Maytenus woodsonii, Kokoona reflexa, and Celastrus paniculatus with data available.
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based on: CCMSLIB00000845468]
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate [IIN-based: Match]
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based: Match]
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate [IIN-based on: CCMSLIB00000847198]
Ala His Gln Arg
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Cys Ile Ile Tyr
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Phe Phe Val Val
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His Ala Gln Arg
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Ile Cys Ile Tyr
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Ile Cys Tyr Ile
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Ile Glu His Ile
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Ile His Glu Ile
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PG(18:1/0:0)[U]
PG(18:1/0:0)
Leukotriene D4 methyl ester
C26H42N2O6S (510.27634320000004)
Physagulin A
LPG 18:1
Ethyl acrylate-acrylic acid-2-ethylhexyl acrylate-N-methylolacrylamide-acrylonitrile polymer
Atrasentan
C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists > D065130 - Endothelin A Receptor Antagonists D000970 - Antineoplastic Agents
N-(butoxymethyl)prop-2-enamide,ethyl prop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enenitrile,2-methylprop-2-enoic acid
Tetrahydroasterriquinone
C32H34N2O4 (510.25184440000004)
A member of the class of dihydroxy-1,4-benzoquinones that is asterriquinone in which the double bonds in both of the N-(3-methylbut-1-en-3-yl) groups have been reduced to single bonds.
(2S,3S,4R)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
(5R)-2,5,6-trihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (E)-octadec-11-enoate
1-Heptadecanoyl-sn-glycero-3-phosphoserine(1-)
C23H45NO9P- (510.2831790000001)
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[(4R,7R,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
N-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
N-[(4S,7R,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
[3-Methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate
1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(2-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
N-[(4S,7R,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
N-[(4R,7R,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
N-[(4S,7S,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
N-[(4R,7S,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
methyl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-beta-D-galactoside
[3-[[(2S)-2,3-Dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (E)-octadec-9-enoate
(2S)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl (9Z)-octadec-9-enoate
(2S)-1-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-3-hydroxypropan-2-yl (9Z)-octadec-9-enoate
(2R)-1-({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-3-hydroxypropan-2-yl (9Z)-octadec-9-enoate
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
[(2R)-2-(5-hydroxypentanoyloxy)-3-phosphonooxypropyl] hexadecanoate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-pentadec-9-enoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1-sn-glycerol)
nebramycin 5
A carbamoylkanamycin that is tobramycin bearing a single carbamoyl substituent located at position 6 (on the 3-aminoglucose ring).
(3r,4r,4's,6r,6''s,9s,9''s,9ar,9''ar)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4-ol
C30H42N2O3S (510.29159820000007)
(1s,2r,4r,6s,7s,10r,11r,16r,17r,18s)-18-(acetyloxy)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-17-yl acetate
2-[(2-{[2-(2-amino-n,3-dimethylbutanamido)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-4-methylpentylidene)amino]benzoic acid
(2s,5z)-2-methyl-4-oxo-6-[(1r,3r,5s,10s,14r,15r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]hept-5-enoic acid
(6bs,8as,11r,12ar,12bs,14ar)-2,3-dihydroxy-11-(methoxycarbonyl)-6b,8a,11,12b,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
2-{[(2s)-2-{[(2r)-2-[(2s,3r)-2-amino-n,3-dimethylpentanamido]-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}benzoic acid
(1s,2r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,14-dien-13-yl acetate
(1r,2r,4s,10s,11r,13s,14r,19r)-1,11-dihydroxy-9,9,14-trimethyl-17-[(1r)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁹]icosa-5,16-dien-7-one
(3r,4s,4'r,6s,6''s,9r,9''r,9as,9''as)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4-ol
C30H42N2O3S (510.29159820000007)
(2r)-2-{[(2s)-2-{[(2r)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-phenylpropanoic acid
3-(4-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}furan-2-yl)-2-methylpropanoic acid
(3e,5e,7s,8r,10s,15r,16z,18z,24s)-11-ethyl-7,20,24,27,28-pentahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,5,16,18,20,26-heptaen-2-one
(1e,3z,5z,7s,8r,9s,10s,11s,13r,15s,16z,18z,24s,25s)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,5,16,18,20,26-heptaen-28-one
methyl (2s,4as,6ar,12br,14as,14br)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-3,8-dioxo-4,5,6,6b,7,13,14,14b-octahydro-1h-picene-2-carboxylate
6-hydroxythiobinupharidine
C30H42N2O3S (510.29159820000007)
{"Ingredient_id": "HBIN012470","Ingredient_name": "6-hydroxythiobinupharidine","Alias": "NA","Ingredient_formula": "C30H42N2O3S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)SC3)C7=COC=C7","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19420;19421;19422","PubChem_id": "9936153","DrugBank_id": "NA"}
6-hydroxythionuphlutine b
C30H42N2O3S (510.29159820000007)
{"Ingredient_id": "HBIN012471","Ingredient_name": "6-hydroxythionuphlutine b","Alias": "NA","Ingredient_formula": "C30H42N2O3S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)SC3)C7=COC=C7","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19424;19425;19426","PubChem_id": "10984042","DrugBank_id": "NA"}
6'-hydroxythionuphlutine b
C30H42N2O3S (510.29159820000007)
{"Ingredient_id": "HBIN012472","Ingredient_name": "6'-hydroxythionuphlutine b","Alias": "NA","Ingredient_formula": "C30H42N2O3S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)CS3)C7=COC=C7","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19423","PubChem_id": "10164525","DrugBank_id": "NA"}
applanoxidic acid F
{"Ingredient_id": "HBIN016523","Ingredient_name": "applanoxidic acid F","Alias": "NA","Ingredient_formula": "C30H38O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(=O)C5(C)C)C)C)C)C(=O)O","Ingredient_weight": "510.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101664507","DrugBank_id": "NA"}
(1s,2r,4r,12r,15s,16s,18r,19r,20r,21s,26s)-4,18-dihydroxy-11,11,16,20,24-pentamethyl-10,22,28-trioxaheptacyclo[17.8.1.0¹,¹⁹.0²,¹⁶.0⁴,¹⁵.0⁶,¹².0²¹,²⁶]octacosa-5,7,24-triene-9,23-dione
(3e,5s,6r,8r,9r,10s,11s,12s,14r,16s,17e,19e)-12-ethyl-2,5,21,28-tetrahydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.0⁶,⁸.0⁹,¹⁶.0¹⁰,¹⁴]nonacosa-1,3,17,19,21,27-hexaen-29-one
(3e,18z)-11-ethyl-2,20,24,27-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaene-7,28-dione
(2s)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-phenylpropanoic acid
(5z)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid
6-{3a,6,6,9a,11a-pentamethyl-3,7,11-trioxo-5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid
(3e,5r,8s,9s,10r,11s,13s,15r,16r,18z,24r,25r)-11-ethyl-20,24,27,28-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,18,20,26-pentaene-2,7-dione
17-(acetyloxy)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-18-yl acetate
(1r,3s,3as,3br,9ar,9bs,11as)-1,3-dihydroxy-9a,11a-dimethyl-1-[(1r)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
2,3-dihydroxy-11-(methoxycarbonyl)-6b,8a,11,12b,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
(2s,5e)-6-[(1s,3s,5r,10s,14r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-2-methyl-4-oxohept-5-enoic acid
(5z)-2-methyl-4-oxo-6-[(1r,3r,5r,10s,14r,15r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]hept-5-enoic acid
(3e,5r,8s,9r,10r,13s,15s,16r,18z,24s,25s)-11-ethyl-2,20,24,27-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaene-7,28-dione
(1r,2r,4r,10s,11r,13s,14r,19r)-1,11-dihydroxy-9,9,14-trimethyl-17-[(1r)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁹]icosa-5,16-dien-7-one
(1s,2s,4s,5r,10r,11s,14s,15z,16s,18s)-15-{1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethylidene}-5-hydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-16-yl acetate
(1s,2r,4ar,5r,8r,8ar)-2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl (2s,3ar,8ar)-3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate
(3e,5r,8s,9r,10r,11s,13s,15s,16r,18z,24s,25s)-11-ethyl-20,24,27,28-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,18,20,26-pentaene-2,7-dione
ethyl (1r,2e,4s,5r,9r,11s,12s)-1-hydroxy-5-isopropyl-8,12-dimethyl-11-{[(2e)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
(1e,3z,5r,8s,9s,10s,11s,13r,15r,16r,18z)-11-ethyl-2,20,24,27-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaene-7,28-dione
11-ethyl-7,24,27,28-tetrahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,5,16,18,26-hexaene-2,20-dione
(4ar,5r,6r,6as,7r,10ar,11as,11br)-4a,6-dihydroxy-10a-methoxy-4,4,7,11b-tetramethyl-9-oxo-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl (2e)-3-phenylprop-2-enoate
(2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate
(1s,3ar,3bs,7s,9ar,11r,11as)-1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3-phenylprop-2-enoate
4a,6-dihydroxy-10a-methoxy-4,4,7,11b-tetramethyl-9-oxo-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate
(1r,2s,5s,11s,13r,14r,16r,19s,24r,25s,27r)-14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),20-triene-8,22-dione
methyl (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
(15z)-15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethylidene]-5-hydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-16-yl acetate
(3e,5r,8s,9s,10r,13s,15s,16r,18z,25s)-11-ethyl-2,9,20,27-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaene-7,28-dione
2-[(2-{[2-(2-amino-n,3-dimethylpentanamido)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene)amino]benzoic acid
(1s,2r,4r,6s,7s,10r,11r,17r,18s)-18-(acetyloxy)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-17-yl acetate
7-[2-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl)ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
(1e,3z,5z,7s,8r,9s,10s,11s,13r,15r,16z,18z,24s,25s)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,5,16,18,20,26-heptaen-28-one
1,11-dihydroxy-9,9,14-trimethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁹]icosa-5,16-dien-7-one
(2s,3r,4ar,9ar)-7-[(1e)-2-[(3s)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl 3-phenylprop-2-enoate
6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4''-ol
C30H42N2O3S (510.29159820000007)
1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl tridecanoate
(3e,5r,8s,9s,10r,11s,13s,15s,16r,18z,25s)-11-ethyl-9,20,27,28-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,18,20,26-pentaene-2,7-dione
1,3-dihydroxy-9a,11a-dimethyl-1-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(3r,4'r,4''r,6s,6''s,9r,9''r,9as,9''as)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4''-ol
C30H42N2O3S (510.29159820000007)
14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),20-triene-8,22-dione
(2s,5e)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid
6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid
11-ethyl-2,20,24,27-tetrahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaene-7,28-dione
3-({6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylbut-2-enoate
(2s,3r,4ar,9ar)-7-[(1e)-2-[(3r)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
C30H42N2O3S (510.29159820000007)
(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3-phenylprop-2-enoate
(3e,5e,7s,8r,9s,10s,11s,13r,15s,16e,18e,24s,25s)-11-ethyl-7,20,24,27,28-pentahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,5,16,18,20,26-heptaen-2-one
6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4-ol
C30H42N2O3S (510.29159820000007)