Exact Mass: 532.3512
Exact Mass Matches: 532.3512
Found 500 metabolites which its exact mass value is equals to given mass value 532.3512
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5b-Cyprinol sulfate
5b-Cyprinol sulfate is an intermediate in bile acid biosynthesis. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 5b-Cyprinol sulfate is an intermediate in bile acid biosynthesis. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB]
Ganoderic acid G
Ganoderic acid G is found in mushrooms. Ganoderic acid G is a constituent of Ganoderma lucidum (reishi) Constituent of Ganoderma lucidum (reishi). Ganoderic acid G is found in mushrooms. Ganoderic acid G is a triterpenoid. Ganoderic acid G is a triterpene isolated from the surface part of gills of Ganoderma lucidum[1]. Ganoderic acid G is a triterpene isolated from the surface part of gills of Ganoderma lucidum[1].
Ganoderic acid I
Ganoderic acid I is found in mushrooms. Ganoderic acid I is a constituent of Ganoderma lucidum (reishi). Constituent of Ganoderma lucidum (reishi). Ganoderic acid I is found in mushrooms. Ganoderic acid I is a triterpenoid found in ganoderma lucidum[1]. Ganoderic acid I is a triterpenoid found in ganoderma lucidum[1].
Ganoderic acid eta
Ganoderic acid eta is found in mushrooms. Ganoderic acid eta is a constituent of Ganoderma lucidum (reishi)
Alisol A 24-acetate
Phytolaccagenin
Phytolaccagenin is a natural product found in Anisomeria coriacea, Phytolacca dodecandra, and other organisms with data available. Phytolaccagenin, a triterpenoid saponin, is the active component of Radix Phytolaccae. Phytolcaccagenin has antifungal activity, anti-inflammatory activity and lower toxicity[1] Phytolaccagenin, a triterpenoid saponin, is the active component of Radix Phytolaccae. Phytolcaccagenin has antifungal activity, anti-inflammatory activity and lower toxicity[1]
Alisol A monoacetate
alisol A 24-acetate is a natural product found in Alisma with data available. Alisol A 24-acetate (Alisol A 24-monoacetate) is a natural product. Alisol A 24-acetate (Alisol A 24-monoacetate) is a natural product.
Alisol
alisol A 24-acetate is a natural product found in Alisma with data available. Alisol A 24-acetate (Alisol A 24-monoacetate) is a natural product. Alisol A 24-acetate (Alisol A 24-monoacetate) is a natural product.
Cochlioquinone A
[Raw Data] CB284_Cochlioquinone-A_neg_50eV_000047.txt [Raw Data] CB284_Cochlioquinone-A_neg_40eV_000047.txt [Raw Data] CB284_Cochlioquinone-A_neg_30eV_000047.txt [Raw Data] CB284_Cochlioquinone-A_neg_20eV_000047.txt [Raw Data] CB284_Cochlioquinone-A_pos_50eV_rep000005.txt [Raw Data] CB284_Cochlioquinone-A_pos_40eV_rep000005.txt [Raw Data] CB284_Cochlioquinone-A_pos_30eV_rep000005.txt [Raw Data] CB284_Cochlioquinone-A_pos_20eV_rep000005.txt [Raw Data] CB284_Cochlioquinone-A_pos_10eV_rep000005.txt
Isocochlioquinone A
[Raw Data] CB285_Isocochlioquinone-A_pos_50eV_rep000006.txt [Raw Data] CB285_Isocochlioquinone-A_pos_40eV_rep000006.txt [Raw Data] CB285_Isocochlioquinone-A_pos_30eV_rep000006.txt [Raw Data] CB285_Isocochlioquinone-A_pos_20eV_rep000006.txt [Raw Data] CB285_Isocochlioquinone-A_pos_10eV_rep000006.txt
Wikstroelide E
A natural product found particularly in Wikstroemia retusa and Pimelea simplex.
Caseargrewiin A
A diterpenoid of the clerodane group isolated from the bark of Casearia grewiifolia and has been shown to exhibit antimalarial and antimycobacterial activity.
(3beta,5beta,22R)-3,22-Di-Ac-3,14,22,25-Tetrahydroxycholest-7-en-6-one
3alpha-acetoxy-21,24R-epoxyapotirucall-14-ene-7alpha,23R,25-triol
(8S)-8-(6-O-acetyl-b-D-glucopyranosyloxy)eicosanoic acid
(-)-dictyostatin|(-)dictyostatin|(7R,8S,10S,13S,14R,15S,17S,20R,21S,22S)-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-22-((1S)-1-methylpenta-2,4-dienyl)oxacyclodocosa-3,5,11-trien-2-one|(8S,10S,14R,20R)-tetrahydroxy-(7R,13S,15S,17S,21S)-pentamethyl-(22S)-((1S)-methylpenta-2,4-dienyl)oxacyclodocosa-3,5,11-trien-2-one|8S,10S,14R,20R-tetrahydroxy-7R,13S,15S,17S,21S-pentamethyl-22S-(1S-methylpenta-2,4-dienyl)oxacyclodocosa-3,5,11-trien-2-one|dictyostatin|dicytostatin
6alpha-Acetoxy-16beta,22-dihydroxyhopan-24-oic acid
6-Deacetylcephalosporin P1|6-Desacetyl-cephalosporin P(1)
5beta,6beta-epoxygorgostane-3beta,7alpha,11alpha,12beta-tetrol 12-acetate
(16beta,22R)-16,18-Di-Ac-4,16,18,22-Tetrahdroxycholest-4-en-3-one
25-nor-12alpha-acetoxy-16beta-(3-hydroxybutanoyloxy)-20,24-dimethyl-24-oxoscalarane
3beta-acetoxy-urs-12-ene-1beta,2alpha,20beta-tetraol
21-O-beta-D-glucopyranosyl-18S-hydroxydihydroprotolichesterinate
(5R,6S,8S,9S,10R,12S,13S,14S,17S,20R,22R)-3,4-secocycloarta-1,24-diene-6,12,20,27-tetrahydroxy-3,4-lactone-22,26-lactone|angustifodilactone A
cholest-4-en-4,16beta,18,22R-tetrol-3-one 16,18-diacetate
3alpha,19alpha-dihydroxy-12alpha-methoxydubos-13(14)-ene-24,28-dioic acid|duboscic acid
(6R)-6-hydroxyoleaside A|(9S)-9-(2,5-dihydro-5-oxo-furan-3-yl)tetradecahydro-5-hydroxy-10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-3-yl 2,6-dideoxy-3-O-methylhexopyranoside|4-[(3S,4aR,5R,6aS,9R,10R,12aR,12bR)-tetradecahydro-5-hydroxy-10,12b-dimethyl-13-oxo-3-{[(2R,4R,5S,6R)-tetrahydro-5-hydroxy-4-methoxy-6-methyl-2H-pyran-2-yl]oxy}-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]furan-2(5H)-one
2alpha,3beta,19alpha-trihydroxyurs-12-ene-23,28-dioic acid-23-methyl ester
(17R,20S,22R,24S,25S,26R)-16alpha-acetoxy-22,26:24,25-diepoxy-5alpha,6beta,26-trihydroxyergost-2-en-1-one|salpichrolide Q
(7S)-7-hydroxyoleaside A|(9S)-9-(2,5-dihydro-5-oxofuran-3-yl)tetradecahydro-6-hydroxy-10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-3-yl 2,6-dideoxy-3-O-methylhexopyranoside|4-[(3S,4aR,6S,6aR,9R,10R,12aR,12bS)-tetradecahydro-6-hydroxy-10,12b-dimethyl-13-oxo-3-{[(2R,4R,5S,6R)-tetrahydro-5-hydroxy-4-methoxy-6-methyl-2H-pyran-2-yl]oxy}-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]furan-2(5H)-one
(5alpha,7alpha,13alpha,17alpha)-17-(3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate|7-O-acetyl-7-O-debenzoyl-22-hydroxy-21-methoxylimocinin|7alpha-acetoxy-21,23-epoxy-20xi,22xi-dihydroxy-21xi,23xi-dimethoxy-24,25,26,27-tetranorapoeupha-1,14-dien-3-one
3beta-(3?-O-acetyl-alpha-l-fucopyranosyloxy)pregn-20-en-19-acetate|sclerosteroid G
(23R,24S)-23,24,25-trihydroxy-3-oxotirucall-7-en-21-yl acetate|brumollisol C
(6S)-6-(6-O-acetyl-b-D-glucopyranosyloxy)eicosanoic acid
(22S)-2alpha-hydroxy-3alpha-acetoxy-11beta-hydroxy-24-methyl-22,25-epoxy-5alpha-furostan-18,20beta-lactone
7??,21S,25-Trihydroxy-3??-acetoxy-21S,23R-epoxy-9(11)-en-dammarane
23-dihydrogenoderic acid N|7beta,20,23xi-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid
(4E,8E,12E)-14-<2-hydroxy-3,4-dimethyl-5-(1-beta-L-xylopyranosyloxy)phenyl>-4,8,12-trimethyltetradeca-4,8,12-trienoic acid|(4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-(1-beta-L-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid|Lurlene
(3beta,5alpha,6beta,15alpha,24S)-15-Sulfate,Cholestane-3,5,6,15,24-Pentol
28-Ac-(3beta,16alpha,21beta,22alpha)-12-Oleanene-3,16,21,22,28-pentol
(22R)-5beta,6beta-epoxy-24-methyl-5alpha-cholestan-3beta,22,25-triol-3,22-diacetate
2-O,3-O-diangeloyl-alpha-bisabolol-beta-D-fucopyranoside
5-Et ether-(5alpha,6beta,17betaOH,20S,22R)-5,6,14,17,20-Pentahydroxy-1-oxowitha-2,24-dienolide|5alpha-ethoxy-1-oxo-6beta,14alpha,17beta,20alphaF-tetrahydroxy-20S,22R-witha-2,24-dienolide|5alpha-ethoxy-6beta,14alpha,17beta,20-tetrahydroxy-1-oxo-20S,22R-witha-2,24-dienolide
butanoic acid rel-(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-5-hydroxy-7,8-dimethyl-7-(3-methyl...|caseamembrin H|rel-(2S,5R,6R,8S,9S,10R,18R,19S)-18-(acetyloxy)-18,19-epoxy-2-hydroxycleroda-3,13(16),14-trien-6,19-diyl dibutanate
(+)-(1R*,3S*,5S*,6aR*,7S*,8S*,10R*,10aR*)-1-(acetoxy)-3,5,6,6a,7,8,9,10-octahydro-10-hydroxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dien-1-yl]naphtho[1,8a-c]furan-3,5-diyl dibutanoate|casearin X
(1alpha,3beta,7alpha,11alpha,12beta)-gorgost-5-ene-1,3,7,11,12-pentol 12-acetate
(3beta,5alpha,6beta,15alpha,16beta)-16-Sulfate,Cholestane-3,5,6,15,16-Pentol
23-methylester of 20(S)-3beta,19alpha,24-trihydroxyurs-12-en-23,28-dioic acid|sapogenin
(3S)-7c-isobutyl-4t-((S)-4-isobutyl-3-methyl-5-oxo-imidazolidin-1-yl)-3r-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-ene-5,8-dione|Nummularin-G|nummularine-G
14-hydroxy-3beta-(O3-methyl-beta-D-xylo-2,6-dideoxy-hexopyranosyloxy)-11-oxo-5beta,14beta-card-20(22)-enolide|14-Hydroxy-3beta-(O3-methyl-beta-D-xylo-2,6-didesoxy-hexopyranosyloxy)-11-oxo-5beta,14beta-card-20(22)-enolid
Ganoderic Acid G
Ganoderic acid G is a triterpene isolated from the surface part of gills of Ganoderma lucidum[1]. Ganoderic acid G is a triterpene isolated from the surface part of gills of Ganoderma lucidum[1].
1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-ethylbutanoate
1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-ethylbutanoate_major
1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-ethylbutanoate_69.7\\%
(6R)-2-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,?.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-ethylbutanoate
Lys Met Arg Val
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Lys Arg Val Met
Lys Val Met Arg
Lys Val Arg Met
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Met Lys Val Arg
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Met Arg Val Lys
Met Val Lys Arg
Met Val Arg Lys
Arg Lys Met Val
Arg Lys Val Met
Arg Met Lys Val
Arg Met Val Lys
Arg Arg Thr Thr
Arg Thr Arg Thr
Arg Thr Thr Arg
Arg Val Lys Met
Arg Val Met Lys
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Thr Arg Thr Arg
Thr Thr Arg Arg
Val Lys Met Arg
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Val Arg Met Lys
1α,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate/ 1α,25-dihydroxy-22-oxacholecalciferol 3-hemiglutarate
Ganoderic acid I
Ganoderic acid I is a triterpenoid found in ganoderma lucidum[1]. Ganoderic acid I is a triterpenoid found in ganoderma lucidum[1].
Ganoderic acid eta
IC202B
A C-nitro compound isolated from Streptoalloteichus sp.1454-19. It is a siderophore which exhibits immunosuppressive activity on a mixed lymphocyte culture reaction (MLCR).
3-O-alpha-L-rhamnopyranosyl-3-hydroxydodecanoyl-3-hydroxydecanoic acid
cucurbitacin J
A cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene substituted by hydroxy groups at positions 2, 16, 20, 24 and 25 and oxo groups at positions 1, 11 and 22.
1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate/ 1alpha,25-dihydroxy-22-oxacholecalciferol 3-hemiglutarate
Uncariursanic acid
(2S)-2-[bis(carboxymethyl)amino]-6-(16-sulfanylhexadecanoylamino)hexanoic acid
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
titanium diisopropoxide bis(tetramethylheptanedionate)
1-(4-butoxyphenyl)-N-[4-[2-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
3β-[(6-Deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-oxo-8,15-cyclo-14,15-seco-5β-card-20(22)-enolide
epi-Cochlioquinone A
An organic heterotetracyclic that is 1,2,3,4a,5,6,6a,12,12a,12b-decahydropyrano[3,2-a]xanthene-8,11-dione substituted by a 2-hydroxypropan-2-yl group at position 3, hydroxy group at position 12, methyl groups at positions 6a and 12b and a 3-(acetyloxy)-4-methylhexan-2-yl moiety at position 9. Isolated from the fermentation broth of Stachybotrys bisbyi SANK 17777, it acts as an inhibitor of acyl-CoA:cholesterol acyltransferase.
[1,6-Dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-(2-methylpropanoyloxy)-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-ethylbutanoate
1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate/1alpha,25-dihydroxy-22-oxacholecalciferol 3-hemiglutarate
16-Hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione
Combretic acid A
A pentacyclic triterpenoid that is 9beta,19-cyclolanostan-28-oic acid substituted by an acetyloxy group at position 7 and hydroxy groups at positions 3 and 25. It has been isolated from the leaves of Combretum quadrangulare.
rel-12-O-Octanoylphorbol-13-acetate
A natural product found in Pimelea elongata.
[(2S,3R,4S)-2-[(3R,4Ar,6S,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-8,11-dioxo-2,3,4a,5,6,6a,12,12a-octahydro-1H-pyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
3-O-(alpha-L-olivosyl)erythronolide B
A macrolide that is erythronolide B having a 2,6-dideoxy-alpha-L-arabino-hexopyranosyl (alpha-L-olivosyl) residue attached at position 3.
(1R,2R,4R,5R,6S,7S,9R,10S,11S,13S,14R,15S,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-one
1-cyclohexyl-3-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
(6R)-2-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
1-cyclohexyl-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-cyclohexyl-3-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
[2-(Hydroxymethyl)-6-[(3R,5R,7R,8R,9S,12S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate
(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
[2-(hydroxymethyl)-6-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulate
2-[hydroxy-[(2R)-2-hydroxy-3-[(10Z,13Z,16Z)-nonadeca-10,13,16-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2S,3R,4S)-2-[(3R,4aR,6S,12bR)-8,11-dihydroxy-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-12-oxo-1,2,3,4a,5,6,6a,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
[(4E,8E)-3-hydroxy-2-(octanoylamino)tetradeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-3-hydroxy-2-(nonanoylamino)trideca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-2-(butanoylamino)-3-hydroxyoctadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-3-hydroxy-2-(pentanoylamino)heptadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-3-hydroxy-2-(propanoylamino)nonadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-2-(hexanoylamino)-3-hydroxyhexadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-2-(heptanoylamino)-3-hydroxypentadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-2-acetamido-3-hydroxyicosa-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E)-2-(decanoylamino)-3-hydroxydodeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[(E)-3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
2-[[3-acetyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Carboxy-[2,3-di(nonanoyloxy)propoxy]methoxy]ethyl-trimethylazanium
2-[Carboxy-(2-decanoyloxy-3-octanoyloxypropoxy)methoxy]ethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-2-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1s,3as,5as,7s,9ar,9br,11as)-1-[(2s,3r,5r)-5-[(1s)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(2s,3r,4s,5s,6r)-5-hydroxy-6-methyl-2-{[(2r)-6-methyl-2-[(1s)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxy}-4-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate
4-[(1s,4s,6s,9r,10r,13r,14r)-4-hydroxy-6-{[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9,13-dimethyl-17-oxotetracyclo[11.3.1.0¹,¹⁰.0⁴,⁹]heptadecan-14-yl]-5h-furan-2-one
6-[(3ar,9as,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
4-[(1s,4r,6r,9s,10s,13s,14s)-6-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9,13-dimethyl-17-oxotetracyclo[11.3.1.0¹,¹⁰.0⁴,⁹]heptadecan-14-yl]-5h-furan-2-one
(1r,5r,9s,10s,13s,15r,16r,19r,20r,21r)-9,19-dihydroxy-13-methoxy-1,8,8,16,20-pentamethylpentacyclo[13.8.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricos-2(11)-ene-5,20-dicarboxylic acid
(1s,2r,3r,4as,4br,6as,7r,10as,10br,12r,12as)-2-acetyl-7-ethyl-1-formyl-12-hydroxy-4b,7,10a,12a-tetramethyl-tetradecahydrochrysen-3-yl 3-hydroxypentanoate
(2r,3s,5r)-2-[(1s,3as,3br,5as,9as,9bs,11as)-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-1-yl]-6-(acetyloxy)-2-hydroxy-5,6-dimethylheptan-3-yl acetate
(3e,5e,7r,8r,9e,13e,16s)-8-hydroxy-3,5,7-trimethyl-16-[(2s,4e,7s,8r,9s,10r,11s)-7,9,11-trihydroxy-8,10-dimethyldodec-4-en-2-yl]-1-oxacyclohexadeca-3,5,9,13-tetraen-2-one
methyl 3-[(1r,2r,5s,6r,8r,10r,11s,12r,15s)-10-hydroxy-5-[(2r)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,2,11-trimethyl-9-oxatetracyclo[6.6.1.0²,⁶.0¹¹,¹⁵]pentadecan-12-yl]-3-methyl-2-oxobutanoate
1-(acetyloxy)-10-(butanoyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
(1r,3s,9s,10s,12s,13s,16s,17r,18s)-10,18-dihydroxy-16-[(1r)-1-hydroxy-1-[(2r,5s)-5-(hydroxymethyl)-6-oxooxan-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.0¹,³.0³,⁹.0¹³,¹⁷]nonadec-4-en-6-one
6-{9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5-(acetyloxy)-6-hydroxy-2,3-dimethylheptan-2-yl acetate
(5e)-6-[(1r,3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxohept-5-enoic acid
(1s,2s,3r,4as,4br,6as,7s,10as,10br,12r,12as)-2-acetyl-7-ethyl-1-formyl-12-hydroxy-4b,7,10a,12a-tetramethyl-tetradecahydrochrysen-3-yl (3s)-3-hydroxypentanoate
3-hydroxy-2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-5-enoic acid
(3s,4s,6r)-6-[(3ar,3bs,9as,9bs,10s)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-7-oxo-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptan-4-yl acetate
2-methyl-4-oxo-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid
(1s,2r,5s,7s,9r,10s,11s,12s,15r,16r,17s,18s)-5,10,18-trihydroxy-2,16-dimethyl-15-[(1r)-1-[(1r,2r)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-17-yl acetate
(2s,4s,6r)-6-[(1r,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid
(2s,3r,4r)-2-[(2r,4ar,4br,10ar,12ar)-6,9-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,10a-dimethyl-5-oxo-3,4,4b,11,12,12a-hexahydro-2h-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
4-[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-3-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6b-hydroxy-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one
(1s,3r,5r,6as,7r,8r,10s,10as)-1-(acetyloxy)-5-(butanoyloxy)-10-hydroxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
(2r,3s,4r)-2-[(2s,4as,4br,5r,10as,12as)-5-hydroxy-2-(2-hydroxypropan-2-yl)-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
[(1r,3s,3ar,5as,5bs,6s,7as,9r,10r,11as,13ar,13br)-1,6,9,10-tetrahydroxy-3-isopropyl-5a,8,8,11a,13a-pentamethyl-1h,2h,3h,4h,5h,5bh,6h,7h,7ah,9h,10h,11h,13h,13bh-cyclopenta[a]chrysen-3a-yl]methyl acetate
2-acetyl-12-(acetyloxy)-7-ethyl-4b,7,10a,12a-tetramethyl-tetradecahydrochrysen-3-yl 3-hydroxybutanoate
6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-5-one
4,6-dihydroxy-6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylheptanoic acid
21-hydroxy-2,4',8,10,19,19-hexamethyl-5,13,14,18-tetraoxaspiro[hexacyclo[18.3.2.0²,¹⁰.0⁴,⁹.0¹²,²³.0¹⁵,²¹]pentacosane-6,2'-oxolane]-5',17-dione
(1r,2r,6s,7s,8r,16r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-5-one
1-(5-methoxyoxolan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl benzoate
(1s,2r,3'ar,3'br,4r,5'ar,7'r,9'ar,9'br,11'r,11'ar)-7'-hydroxy-4-(2-hydroxypropan-2-yl)-1,3'a,3'b,6',6',9'a-hexamethyl-dodecahydro-3,7-dioxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclopenta[a]phenanthren]-11'-yl acetate
15-oxo-cucurbitacin f
{"Ingredient_id": "HBIN001716","Ingredient_name": "15-oxo-cucurbitacin f","Alias": "NA","Ingredient_formula": "C30H44O8","Ingredient_Smile": "CC1(C(C(CC2C1=CCC3C2(C(=O)CC4(C3(C(=O)C(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)O)C","Ingredient_weight": "532.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16293","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6473862","DrugBank_id": "NA"}
2α,5α,10β-triacetoxy-14β-iso-butyryloxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN005242","Ingredient_name": "2\u03b1,5\u03b1,10\u03b2-triacetoxy-14\u03b2-iso-butyryloxytaxa-4(20),11-diene","Alias": "2alpha,5alpha,10beta-triacetoxy-14beta-isobutyryloxytaxa-4(20),11-diene","Ingredient_formula": "C30H44O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21511;32089","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2- methybicyclo(4. 3. 0)non- 1(6)- ene
{"Ingredient_id": "HBIN005931","Ingredient_name": "2- methybicyclo(4. 3. 0)non- 1(6)- ene","Alias": "NA","Ingredient_formula": "C32H52O4S","Ingredient_Smile": "CC(C)C(=O)C12C=CC(C(C1=O)(CC(C2(C)CCCC(C)(C)OC)CC=C(C)C)CC=C(C)C)S(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7β,20,23 ξ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oicacid
{"Ingredient_id": "HBIN013073","Ingredient_name": "7\u03b2,20,23 \u03be-trihydroxy-3,11,15-trioxolanosta-8-en-26-oicacid","Alias": "NA","Ingredient_formula": "C30H44O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21843","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alisol e 23-acetate
{"Ingredient_id": "HBIN015156","Ingredient_name": "alisol e 23-acetate","Alias": "[(3S,4S,6R)-2,3-dihydroxy-6-[(8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-4-yl] acetate; AC1NSVD1","Ingredient_formula": "C32H52O6","Ingredient_Smile": "CC(CC(C(C(C)(C)O)O)OC(=O)C)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1)C)C)(C)C)C)O","Ingredient_weight": "532.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14231","TCMID_id": "897","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101661272","DrugBank_id": "NA"}
alisol e 24-acetate
{"Ingredient_id": "HBIN015157","Ingredient_name": "alisol e 24-acetate","Alias": "NA","Ingredient_formula": "C32H52O6","Ingredient_Smile": "CC(CC(C(C(C)(C)O)OC(=O)C)O)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1)C)C)(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14232","TCMID_id": "898","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apocannoside
{"Ingredient_id": "HBIN016502","Ingredient_name": "apocannoside","Alias": "NA","Ingredient_formula": "C30H44O8","Ingredient_Smile": "CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O","Ingredient_weight": "532.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6723;19556;21629","PubChem_id": "102060349","DrugBank_id": "NA"}