Exact Mass: 544.2672776
Exact Mass Matches: 544.2672776
Found 500 metabolites which its exact mass value is equals to given mass value 544.2672776
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Morellin
Morellin is found in fruits. Morellin is a constituent of seeds of Garcinia morella (batuan)
Cinncassiol A 19-glucoside
Cinncassiol A 19-glucoside is found in herbs and spices. Cinncassiol A 19-glucoside is a constituent of Cinnamomum species Constituent of Cinnamomum subspecies Cinncassiol A 19-glucoside is found in herbs and spices.
Physagulin F
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin F is found in herbs and spices and fruits. Physagulin F is found in fruits. Physagulin F is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Perindopril Acyl-beta-D-glucuronide
Perindopril Acyl-beta-D-glucuronide is a metabolite of perindopril. Perindopril, or perindopril arginine, (trade names include Coversyl and Aceon) is a long-acting ACE inhibitor. Perindopril is used to treat high blood pressure, heart failure or stable coronary artery disease. It is also available in a generic form, perindopril erbumine. (Wikipedia)
2-[(3R)-1-(2,2-Diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
Mimic A
[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
2-deoxy-20-hydroxyecdysone 22-phosphate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
calcicolin B|rel-10betaH-trans-1beta,12-di(2-methylbut-2(E)-enoyl)-6alpha,13-dihydroxyclerodan-4(20),8(18)-diene-7,15-dione 15,16-oxide
8beta,15beta,20S-trihydroxy-3,7,12,23-tetraoxolanost-9,(11),16-dien-26-oic acid|elfvingic acid G
2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta,10,11-trihydroxybisabol-7(14)-ene
C27H41ClO9 (544.2438966000001)
Difficidin
Difficidin is a natural product found in Bacillus subtilis
(7R,8R)-threo-(E)-4,7-dihydroxy-9,9-diisovaleroyloxy-3,3-dimethoxy-7-en-8-O-4-neolignan
(4S,5R,10S)-11,15-dihydroxy-7-drimene-15-O-(3-hydroxy-3-methylglutaryl)-11-O-beta-D-glucopyranoside|11,15-dihydroxy-15-O-beta-(3-hydroxy-3-methylglutaryl)-7-drimene-11-O-beta-D-glucopyranoside|saxifragoside A
(20S,22R)-15alpha-acetoxy-5beta,6beta-epoxy-3beta,4beta,14alpha-hydroxy-1-oxowitha-16,24-dien-26,22-olide|physaminimin F
1(10),4-germacradien-6,12-olide-15-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|ainsliaolide C
(1S,4S,5R,6R,9S)-13-O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione
(20S,22S)-15alpha-acetoxy-5alpha,6beta,14alpha,23beta-tetrahydroxy-1-oxo-witha-2,16,24-trienolide|physagulin M
2-[(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-3,5,8-trimethyl-10-oxo-4,8-(epoxyethano)cyclopenta[a]inden-2-yl]propyl beta-D-glucopyranoside|cinnacaside
Physachenolide C
Gln Glu Ile Arg
C22H40N8O8 (544.2968960000001)
His Ile Phe Glu
C26H36N6O7 (544.2645345999999)
Gln Ile Glu Arg
C22H40N8O8 (544.2968960000001)
Phe His Ile Glu
C26H36N6O7 (544.2645345999999)
His Asn Phe Lys
C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Asp Lys Pro Trp
C26H36N6O7 (544.2645345999999)
Asp Lys Trp Pro
C26H36N6O7 (544.2645345999999)
Asp Pro Lys Trp
C26H36N6O7 (544.2645345999999)
Asp Pro Trp Lys
C26H36N6O7 (544.2645345999999)
Asp Trp Lys Pro
C26H36N6O7 (544.2645345999999)
Asp Trp Pro Lys
C26H36N6O7 (544.2645345999999)
Glu Phe His Ile
C26H36N6O7 (544.2645345999999)
Glu Phe His Leu
C26H36N6O7 (544.2645345999999)
Glu Phe Ile His
C26H36N6O7 (544.2645345999999)
Glu Phe Leu His
C26H36N6O7 (544.2645345999999)
Glu His Phe Ile
C26H36N6O7 (544.2645345999999)
Glu His Phe Leu
C26H36N6O7 (544.2645345999999)
Glu His Ile Phe
C26H36N6O7 (544.2645345999999)
Glu His Leu Phe
C26H36N6O7 (544.2645345999999)
Glu Ile Phe His
C26H36N6O7 (544.2645345999999)
Glu Ile His Phe
C26H36N6O7 (544.2645345999999)
Glu Ile Gln Arg
C22H40N8O8 (544.2968960000001)
Glu Ile Arg Gln
C22H40N8O8 (544.2968960000001)
Glu Leu Phe His
C26H36N6O7 (544.2645345999999)
Glu Leu His Phe
C26H36N6O7 (544.2645345999999)
Glu Leu Gln Arg
C22H40N8O8 (544.2968960000001)
Glu Leu Arg Gln
C22H40N8O8 (544.2968960000001)
Glu Gln Ile Arg
C22H40N8O8 (544.2968960000001)
Glu Gln Leu Arg
C22H40N8O8 (544.2968960000001)
Glu Gln Arg Ile
C22H40N8O8 (544.2968960000001)
Glu Arg Ile Gln
C22H40N8O8 (544.2968960000001)
Phe Glu His Ile
C26H36N6O7 (544.2645345999999)
Phe Glu His Leu
C26H36N6O7 (544.2645345999999)
Phe Glu Ile His
C26H36N6O7 (544.2645345999999)
Phe Glu Leu His
C26H36N6O7 (544.2645345999999)
Phe His Glu Ile
C26H36N6O7 (544.2645345999999)
Phe His Glu Leu
C26H36N6O7 (544.2645345999999)
Phe His Lys Asn
Phe His Leu Glu
C26H36N6O7 (544.2645345999999)
Phe His Asn Lys
Phe His Asn Gln
C24H32N8O7 (544.2393841999999)
Phe His Gln Asn
C24H32N8O7 (544.2393841999999)
Phe Ile Glu His
C26H36N6O7 (544.2645345999999)
Phe Ile His Glu
C26H36N6O7 (544.2645345999999)
Phe Lys His Asn
Phe Lys Asn His
Phe Leu Glu His
C26H36N6O7 (544.2645345999999)
Phe Leu His Glu
C26H36N6O7 (544.2645345999999)
Phe Asn His Lys
Phe Asn His Gln
C24H32N8O7 (544.2393841999999)
Phe Asn Lys His
Phe Asn Gln His
C24H32N8O7 (544.2393841999999)
Phe Gln His Asn
C24H32N8O7 (544.2393841999999)
Phe Gln Asn His
C24H32N8O7 (544.2393841999999)
Gly Pro Trp Trp
Gly Trp Pro Trp
Gly Trp Trp Pro
His Glu Phe Ile
C26H36N6O7 (544.2645345999999)
His Glu Phe Leu
C26H36N6O7 (544.2645345999999)
His Glu Ile Phe
C26H36N6O7 (544.2645345999999)
His Glu Leu Phe
C26H36N6O7 (544.2645345999999)
His Phe Glu Ile
C26H36N6O7 (544.2645345999999)
His Phe Glu Leu
C26H36N6O7 (544.2645345999999)
His Phe Ile Glu
C26H36N6O7 (544.2645345999999)
His Phe Lys Asn
His Phe Leu Glu
C26H36N6O7 (544.2645345999999)
His Phe Asn Lys
His Phe Asn Gln
C24H32N8O7 (544.2393841999999)
His Phe Gln Asn
C24H32N8O7 (544.2393841999999)
His Ile Glu Phe
C26H36N6O7 (544.2645345999999)
His Lys Phe Asn
His Lys Asn Phe
His Leu Glu Phe
C26H36N6O7 (544.2645345999999)
His Leu Phe Glu
C26H36N6O7 (544.2645345999999)
His Asn Phe Gln
C24H32N8O7 (544.2393841999999)
His Asn Lys Phe
His Asn Gln Phe
C24H32N8O7 (544.2393841999999)
His Gln Phe Asn
C24H32N8O7 (544.2393841999999)
His Gln Asn Phe
C24H32N8O7 (544.2393841999999)
Ile Glu Phe His
C26H36N6O7 (544.2645345999999)
Ile Glu His Phe
C26H36N6O7 (544.2645345999999)
Ile Phe Glu His
C26H36N6O7 (544.2645345999999)
Ile Phe His Glu
C26H36N6O7 (544.2645345999999)
Ile His Glu Phe
C26H36N6O7 (544.2645345999999)
Ile His Phe Glu
C26H36N6O7 (544.2645345999999)
Ile Ser Tyr Tyr
Ile Tyr Ser Tyr
Ile Tyr Tyr Ser
Lys Asp Pro Trp
C26H36N6O7 (544.2645345999999)
Lys Asp Trp Pro
C26H36N6O7 (544.2645345999999)
Lys Phe His Asn
Lys Phe Asn His
Lys His Phe Asn
Lys His Asn Phe
Lys Asn Phe His
Lys Asn His Phe
Lys Pro Asp Trp
C26H36N6O7 (544.2645345999999)
Lys Pro Trp Asp
C26H36N6O7 (544.2645345999999)
Lys Trp Asp Pro
C26H36N6O7 (544.2645345999999)
Lys Trp Pro Asp
C26H36N6O7 (544.2645345999999)
Leu Glu Phe His
C26H36N6O7 (544.2645345999999)
Leu Glu His Phe
C26H36N6O7 (544.2645345999999)
Leu Phe Glu His
C26H36N6O7 (544.2645345999999)
Leu Phe His Glu
C26H36N6O7 (544.2645345999999)
Leu His Glu Phe
C26H36N6O7 (544.2645345999999)
Leu His Phe Glu
C26H36N6O7 (544.2645345999999)
Leu Ser Tyr Tyr
Leu Tyr Ser Tyr
Leu Tyr Tyr Ser
Asn Phe His Lys
Asn Phe His Gln
C24H32N8O7 (544.2393841999999)
Asn Phe Lys His
Asn Phe Gln His
C24H32N8O7 (544.2393841999999)
Asn His Phe Lys
Asn His Phe Gln
C24H32N8O7 (544.2393841999999)
Asn His Lys Phe
Asn His Gln Phe
C24H32N8O7 (544.2393841999999)
Asn Lys Phe His
Asn Lys His Phe
Asn Gln Phe His
C24H32N8O7 (544.2393841999999)
Asn Gln His Phe
C24H32N8O7 (544.2393841999999)
Asn Gln Gln Arg
Asn Gln Arg Gln
Asn Arg Gln Gln
Pro Asp Lys Trp
C26H36N6O7 (544.2645345999999)
Pro Asp Trp Lys
C26H36N6O7 (544.2645345999999)
Pro Gly Trp Trp
Pro Lys Asp Trp
C26H36N6O7 (544.2645345999999)
Pro Lys Trp Asp
C26H36N6O7 (544.2645345999999)
Pro Arg Ser Trp
Pro Arg Trp Ser
Pro Ser Arg Trp
Pro Ser Trp Arg
Pro Trp Asp Lys
C26H36N6O7 (544.2645345999999)
Pro Trp Gly Trp
Pro Trp Lys Asp
C26H36N6O7 (544.2645345999999)
Pro Trp Arg Ser
Pro Trp Ser Arg
Pro Trp Trp Gly
Gln Glu Leu Arg
C22H40N8O8 (544.2968960000001)
Gln Glu Arg Ile
C22H40N8O8 (544.2968960000001)
Gln Glu Arg Leu
C22H40N8O8 (544.2968960000001)
Gln Phe His Asn
C24H32N8O7 (544.2393841999999)
Gln Phe Asn His
C24H32N8O7 (544.2393841999999)
Gln His Phe Asn
C24H32N8O7 (544.2393841999999)
Gln His Asn Phe
C24H32N8O7 (544.2393841999999)
Gln Ile Arg Glu
C22H40N8O8 (544.2968960000001)
Gln Leu Glu Arg
C22H40N8O8 (544.2968960000001)
Gln Leu Arg Glu
C22H40N8O8 (544.2968960000001)
Gln Asn Phe His
C24H32N8O7 (544.2393841999999)
Gln Asn His Phe
C24H32N8O7 (544.2393841999999)
Gln Asn Gln Arg
Gln Asn Arg Gln
Gln Gln Asn Arg
Gln Gln Arg Asn
Gln Arg Glu Ile
C22H40N8O8 (544.2968960000001)
Gln Arg Glu Leu
C22H40N8O8 (544.2968960000001)
Gln Arg Ile Glu
C22H40N8O8 (544.2968960000001)
Gln Arg Leu Glu
C22H40N8O8 (544.2968960000001)
Gln Arg Asn Gln
Gln Arg Gln Asn
Arg Glu Ile Gln
C22H40N8O8 (544.2968960000001)
Arg Glu Leu Gln
C22H40N8O8 (544.2968960000001)
Arg Glu Gln Ile
C22H40N8O8 (544.2968960000001)
Arg Glu Gln Leu
C22H40N8O8 (544.2968960000001)
Arg Ile Glu Gln
C22H40N8O8 (544.2968960000001)
Arg Ile Gln Glu
C22H40N8O8 (544.2968960000001)
Arg Asn Gln Gln
Arg Pro Ser Trp
Arg Pro Trp Ser
Arg Gln Glu Leu
C22H40N8O8 (544.2968960000001)
Arg Gln Asn Gln
Arg Gln Gln Asn
Arg Ser Pro Trp
Arg Ser Trp Pro
Arg Trp Pro Ser
Arg Trp Ser Pro
Ser Ile Tyr Tyr
Ser Leu Tyr Tyr
Ser Pro Arg Trp
Ser Pro Trp Arg
Ser Arg Pro Trp
Ser Arg Trp Pro
Ser Trp Pro Arg
Ser Trp Arg Pro
Ser Tyr Ile Tyr
Ser Tyr Leu Tyr
Ser Tyr Tyr Ile
Ser Tyr Tyr Leu
Thr Val Tyr Tyr
Thr Tyr Val Tyr
Thr Tyr Tyr Val
Val Thr Tyr Tyr
Val Tyr Thr Tyr
Val Tyr Tyr Thr
Trp Asp Lys Pro
C26H36N6O7 (544.2645345999999)
Trp Asp Pro Lys
C26H36N6O7 (544.2645345999999)
Trp Gly Pro Trp
Trp Gly Trp Pro
Trp Lys Asp Pro
C26H36N6O7 (544.2645345999999)
Trp Lys Pro Asp
C26H36N6O7 (544.2645345999999)
Trp Pro Asp Lys
C26H36N6O7 (544.2645345999999)
Trp Pro Gly Trp
Trp Pro Lys Asp
C26H36N6O7 (544.2645345999999)
Trp Pro Arg Ser
Trp Pro Ser Arg
Trp Pro Trp Gly
Trp Arg Pro Ser
Trp Arg Ser Pro
Trp Ser Pro Arg
Trp Ser Arg Pro
Trp Trp Gly Pro
Trp Trp Pro Gly
Tyr Ile Ser Tyr
Tyr Ile Tyr Ser
Tyr Leu Ser Tyr
Tyr Leu Tyr Ser
Tyr Ser Ile Tyr
Tyr Ser Leu Tyr
Tyr Ser Tyr Ile
Tyr Ser Tyr Leu
Tyr Thr Val Tyr
Tyr Thr Tyr Val
Tyr Val Thr Tyr
Tyr Val Tyr Thr
Tyr Tyr Ile Ser
Tyr Tyr Leu Ser
Tyr Tyr Ser Ile
Tyr Tyr Ser Leu
Tyr Tyr Thr Val
Tyr Tyr Val Thr
AG-041R
Cinncassiol A 19-glucoside
Physagulin F
2-Dhe-22-P
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Nicansteroidin A
Nicansteroidin B
Physagulin C
N,N-BIS(3-METHYLPHENYL)-N,N-BIS(4-METHYLPHENYL)-1,1-BIPHENYL-4,4-DIAMINE
1-butyl-2-[3-(1-butylbenzo[cd]indol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole,tetrafluoroborate
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone,hydrochloride
(2R,5R)-1-(((2R,5R)-2,5-Diphenylpyrrolidin-1-yl)methylene)-2,5-diphenylpyrrolidinium tetrafluoroborate
N,N-diphenyl-N,N-bis(2,4-dimethylphenyl)-(1,1-biphenyl)-4,4-diamine
2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-beta-D-glucopyranoside
A triterpenoid saponin of the class of cucurbitane glycosides isolated from Machilus yaoshansis.
[13-Acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
2-[(3R)-1-(2,2-Diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
[(2S,3R)-6-hydroxy-6-methyl-2-[(2S,3R,5R,9R,10R,13R,14S,17R)-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]heptan-3-yl] dihydrogen phosphate
[(2R,3R,4S,5R,6R)-5-[(3-acetamido-6-aminohexanoyl)amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate
1,5-Methano-11H-furo(3,2-g)pyrano(3,2-b)xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-alpha,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-
[2-[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-8-yl] 3-methoxybenzoate
(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal
7-Deacetyl-7-benzoylgedunin
A limonoid that is gedunin in which the acetoxy group at position 7 is replaced by a benzoyloxy group. Isolated from Azadirachta indica, it exhibits cytotoxic activity against HL60 leukemia cells.
(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
A natural product found in Streptomyces sp. I08A 1776.
(-)-(2R,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
A natural product found in Streptomyces sp. I08A 1776.
(+)-(2S,3S,4R,7alpha)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F
A natural product found in Streptomyces sp. I08A 1776.
17-Defurano-17-oxosalannin
A limonoid that is salannin in which the furanyl group at position 17 is replaced by an oxo group. Isolated from Azadirachta indica, it exhibits anti-inflammatory activity.
(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(10S,11S)-10-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(10R,11S)-10-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(10R,11S)-10-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
(2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(10S,11R)-10-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
[4-[Hydroxy(diphenyl)methyl]-1-piperidinyl]-[4-[hydroxy(diphenyl)methyl]-1-triazolyl]methanone
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] tetradecanoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
Morellin
1-tetradecanoyl-glycero-3-phospho-(1-myo-inositol)
VHL-IN-1
VHL-IN-1 (compound 30) is a ubiquitin E3 ligase von Hippel-Lindau (VHL) inhibitor (dissociation constant Kd=37 nM) that stabilizes and induces HIF-1α transcriptional activity. VHL-IN-1 has potential as a HIF-1α stabilizer and degrader of proteolytically targeted chimeras (PROTACs)[1].
[(2s,3r)-2-[(1r,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-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]oxyphosphonic acid
{1-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-1,5,5a-trihydroxy-9a-methyl-9-oxo-2h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-11a-yl}methyl acetate
methyl (4s,5s,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
1-[2,6-bis(2h-1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]piperidine
C32H36N2O6 (544.2573236000001)
2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid
methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
2-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
(1r,2r,4r,6s,8s,9s,10s,11s)-1,6-dimethyl-2,10-bis({[(2z)-2-methylbut-2-enoyl]oxy})-7-oxo-9-(prop-1-en-2-yl)-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl (2z)-2-methylbut-2-enoate
{15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-12,15-dihydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-16-yl}methyl acetate
methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,2r,4s,7s,8s,11r,12s,13s,15s,17s,19r)-15-(acetyloxy)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-13-yl acetate
[(1s,3ar,3br,5r,9ar,9bs,11ar)-1-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-1,3a,5-trihydroxy-9a-methyl-9-oxo-2h,3h,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-11a-yl]methyl acetate
6-amino-n-[2-({4,7-dihydroxy-3h,3ah,6h,7h,7ah-imidazo[4,5-c]pyridin-2-yl}amino)-4,5-dihydroxy-6-[(c-hydroxycarbonimidoyloxy)methyl]oxan-3-yl]-3-[(1-hydroxyethylidene)amino]hexanimidic acid
(3s,5s)-2-[(1s,2r,3r,4r,5r)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
2-{4-hydroxy-1,4a-dimethyl-8-[(2-methylbut-2-enoyl)oxy]-2,5-dimethylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl}-1-(3-hydroxy-5-oxooxolan-3-yl)ethyl 2-methylbut-2-enoate
agnucastoside b
{"Ingredient_id": "HBIN014874","Ingredient_name": "agnucastoside b","Alias": "NA","Ingredient_formula": "C26H40O12","Ingredient_Smile": "CC(CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O)CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer withanolide pmv70p691-148
{"Ingredient_id": "HBIN016372","Ingredient_name": "anticancer withanolide pmv70p691-148","Alias": "NA","Ingredient_formula": "C30H40O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1456","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,3ar,4s,6as,10s,14s,17ar)-1,14-dihydroxy-3-[(s)-1h-indol-3-yl(methoxy)methyl]-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,14h,15h,16h-cyclotrideca[d]isoindole-13,17-dione
methyl 5-ethenyl-4-({2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
12-methyl-6-methylidene-12-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13,15-pentol
1,6-dimethyl-2,10-bis[(2-methylbut-2-enoyl)oxy]-7-oxo-9-(prop-1-en-2-yl)-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 2-methylbut-2-enoate
(2-{3a,7,8-trihydroxy-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)oxyphosphonic acid
2-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
methyl 4-[(1s,3ar,4s,7s,7ar)-4-[(1e,5e)-4,6-dimethyl-7-oxohepta-1,5-dien-1-yl]-3-hydroxy-1-(1h-indol-3-ylmethyl)-6,7-dimethyl-1,4,7,7a-tetrahydroisoindol-3a-yl]-4-oxobutanoate
[7,19-dimethyl-2-(3-methylhexa-3,5-dien-1-yl)-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid
methyl (1r,2r,3s,4s,5r,9s,10s,13r,14r)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(3as,3bs,9ar,9br,11as)-1-acetyl-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
(2e)-4-[(1r,2s,17s)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
2,16-dihydroxy-18-(1h-indol-3-ylmethyl)-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0³,¹⁵.0¹⁵,¹⁹]henicosa-4,8,16-triene-10,11,14-trione
C32H36N2O6 (544.2573236000001)
(1s,2r,4s,7r,8s,11r,12s,13s,15r,17s,19r)-13-(acetyloxy)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-15-yl acetate
19-{1ah,2h-oxireno[2,3-b]indol-6b-ylmethyl}-21-hydroxy-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5,6-trione
C32H36N2O6 (544.2573236000001)
(1s,2r,4s,7s,8s,12s,13s,15r,19r)-13-(acetyloxy)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-15-yl acetate
(2e)-4-[(1s,2s,17s,19r)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
(3r,5r)-6-[(1r,2s,3s,4s,5s)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-2,5-dihydroxy-2-methylhept-6-en-3-yl (2z)-2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
(1s,2r,4s,7s,8s,11r,13s,15r,17s,19r)-13-(acetyloxy)-7-(furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate
(3s,5r)-2-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
(2e,4s,6r)-6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid
1,14-dihydroxy-3-[1h-indol-3-yl(methoxy)methyl]-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,14h,15h,16h-cyclotrideca[d]isoindole-13,17-dione
[(2r,3r)-2-[(1s,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]-2,6-dihydroxy-6-methylheptan-3-yl]oxyphosphonic acid
(2s)-1-[(2s)-2-({[(2r)-1-[(2s)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid
15-(acetyloxy)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-13-yl acetate
(1r,5r,6s,9s,10r,11r,15r)-9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-[(2s)-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one
methyl 4-[4-(4,6-dimethyl-7-oxohepta-1,5-dien-1-yl)-3-hydroxy-1-(1h-indol-3-ylmethyl)-6,7-dimethyl-1,4,7,7a-tetrahydroisoindol-3a-yl]-4-oxobutanoate
9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one
(3s)-n-[(2r,3r,4s,5r,6r)-2-{[(3as,7r,7as)-4,7-dihydroxy-3h,3ah,6h,7h,7ah-imidazo[4,5-c]pyridin-2-yl]amino}-4,5-dihydroxy-6-[(c-hydroxycarbonimidoyloxy)methyl]oxan-3-yl]-6-amino-3-[(1-hydroxyethylidene)amino]hexanimidic acid
[(2s)-2-[(1r,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-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]oxyphosphonic acid
(1r,3r,5s,7r,9r,10s,12r,14s,15r,18r,22s,23r)-10,22-dihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-19-en-16-one
(3s)-n-[(2s,3r,4s,5r,6r)-2-{[(3as,7r,7as)-4,7-dihydroxy-3h,3ah,6h,7h,7ah-imidazo[4,5-c]pyridin-2-yl]amino}-4,5-dihydroxy-6-[(c-hydroxycarbonimidoyloxy)methyl]oxan-3-yl]-6-amino-3-[(1-hydroxyethylidene)amino]hexanimidic acid
(2e)-3-[(1r,2r,3s,4r)-2,4-bis(2h-1,3-benzodioxol-5-yl)-3-(piperidine-1-carbonyl)cyclobutyl]-1-(piperidin-1-yl)prop-2-en-1-one
C32H36N2O6 (544.2573236000001)
1-[(1s,2s,5r,6r)-5,6-bis(2h-1,3-benzodioxol-5-yl)-2-(piperidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]piperidine
C32H36N2O6 (544.2573236000001)
(1s,2r,6s,7s,9r,11r,12r,15s,16s)-12,15-dihydroxy-15-[(1r,4r,6r,8r)-8-hydroxy-4,8-dimethyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-6-yl acetate
(2z)-4-[(1s,2s,19r)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
{1-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-1,3a,5-trihydroxy-9a-methyl-9-oxo-2h,3h,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-11a-yl}methyl acetate
(2s,3r,4s,5s,6r)-2-{[(5s,8r)-1-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
methyl (1r,2r,3s,4s,5r,9s,10s,13s,14r)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(3s)-n-(2-{[(3as,7r,7as)-4,7-dihydroxy-3h,3ah,6h,7h,7ah-imidazo[4,5-c]pyridin-2-yl]amino}-4,5-dihydroxy-6-[(c-hydroxycarbonimidoyloxy)methyl]oxan-3-yl)-6-amino-3-[(1-hydroxyethylidene)amino]hexanimidic acid
(1r,2s,3s,4s,6r,7s,10s,11r,16r,17r)-6-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16,17-trihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.0²,⁷.0⁴,⁶.0¹¹,¹⁶]octadec-13-en-3-yl acetate
6-[(3r,3as,3bs,9as,11ar)-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,11-trioxo-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
3-[2,4-bis(2h-1,3-benzodioxol-5-yl)-3-(piperidine-1-carbonyl)cyclobutyl]-1-(piperidin-1-yl)prop-2-en-1-one
C32H36N2O6 (544.2573236000001)
6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2z)-4-[(1r,2r,17r,19s)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
(1s,2r,4s,7s,8s,11r,12s,13s,15r,17s,19r)-13-(acetyloxy)-7-(furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate
[(1s,3ar,3br,5r,9ar,9bs,11ar)-1-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,5-dihydropyran-2-yl]-1-hydroxyethyl]-1,3a,5-trihydroxy-9a-methyl-9-oxo-2h,3h,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-11a-yl]methyl acetate
(1s,2r,4s,7r,8s,11r,12s,13s,15r,17s,19r)-15-(acetyloxy)-7-(furan-3-yl)-13-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate
(2s,6s)-6-[(3r,3as,3bs,5ar,9as,11ar)-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,11-trioxo-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
[(1r,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2s,3r)-3,6-dihydroxy-6-methylheptan-2-yl]-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxyphosphonic acid
1-[5,6-bis(2h-1,3-benzodioxol-5-yl)-2-(piperidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]piperidine
C32H36N2O6 (544.2573236000001)
[(1s,2r,7s,9r,11r,12r,15s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-16-yl]methyl acetate
(1s,2r,4s,7s,8s,11r,12s,13s,15r,17s,19r)-13-(acetyloxy)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-15-yl acetate
4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
1-[2-(2h-1,3-benzodioxol-5-yl)-3-[2-(2h-1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutanecarbonyl]piperidine
C32H36N2O6 (544.2573236000001)
1-[2-({[1-(2-amino-3-phenylpropanoyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid
(1s,2s,5r,7r,8s,9s,10s,11r,12r,13s,15r)-12-methyl-6-methylidene-12-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13,15-pentol
15-(acetyloxy)-7-(furan-3-yl)-13-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate
(1s,2s,3r,7s,15r,18r,19r,20s)-2,16-dihydroxy-18-(1h-indol-3-ylmethyl)-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0³,¹⁵.0¹⁵,¹⁹]henicosa-4,8,16-triene-10,11,14-trione
C32H36N2O6 (544.2573236000001)
(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}-2,6-dihydroxy-6-methylheptan-3-yl)oxyphosphonic acid
3a,5,5a-trihydroxy-1-[1-(3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-9a,11a-dimethyl-9-oxo-3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-3-yl acetate
10,22-dihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-19-en-16-one
(1r,2s,4r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-6-oxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2z)-2-methylbut-2-enoate
2-{[1-hydroxy-5-(1-hydroxypropan-2-yl)-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol
2-{[(2e,4e,6e,8e,10e,12e,14e)-1-hydroxy-2,14-dimethyl-15-[(4r,5r)-5-methyl-2-[(1e)-2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoic acid
methyl 2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
[(1s,3br,5r,5ar,9ar,9bs,11as)-1-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-1,5,5a-trihydroxy-9a-methyl-9-oxo-2h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-11a-yl]methyl acetate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,4s,5r,9r,10r,11s,13s,14s)-10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(2z)-4-[(2s)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
6-{3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,11-trioxo-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid
methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(2s,3r,4s,5s,6r)-2-{[(5s,8r)-1-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
1-[(1r,2s,5r,6r)-2,6-bis(2h-1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]piperidine
C32H36N2O6 (544.2573236000001)
(1r,2s,4r,9r,10r,11r,12s,14r,15r,18r)-14-(acetyloxy)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-6-oxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl 2-methylbut-2-enoate
[(2s,3r)-2-[(1r,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-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]oxyphosphonic acid
1-[(1s,2r,3r,4s)-2-(2h-1,3-benzodioxol-5-yl)-3-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutanecarbonyl]piperidine
C32H36N2O6 (544.2573236000001)
(3s,3ar,3br,5r,5ar,9ar,9bs,11ar)-3a,5,5a-trihydroxy-1-[(1s)-1-[(2s,3s)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-9a,11a-dimethyl-9-oxo-3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-3-yl acetate
6-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-2,5-dihydroxy-2-methylhept-6-en-3-yl 2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
(1s)-2-[(1s,4s,4as,8s,8as)-4-hydroxy-1,4a-dimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2,5-dimethylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]-1-[(3s)-3-hydroxy-5-oxooxolan-3-yl]ethyl (2e)-2-methylbut-2-enoate
(1s,7e,9s,11e,13r,14s,16r,17s,18r,19s)-19-{1ah,2h-oxireno[2,3-b]indol-6b-ylmethyl}-21-hydroxy-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5,6-trione
C32H36N2O6 (544.2573236000001)