Exact Mass: 590.2621
Exact Mass Matches: 590.2621
Found 500 metabolites which its exact mass value is equals to given mass value 590.2621
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Moreollin
Moreollin is found in fruits. Moreollin is a constituent of the seed coat of Garcinia morella (batuan)
Dimethylprotoporphyrin IX dimethyl ester
The hepatic pigment accumulated as a consequence of the self-catalyzed destruction of cytochrome P-450 by norethisterone (PubMed ID 284396 ) [HMDB] The hepatic pigment accumulated as a consequence of the self-catalyzed destruction of cytochrome P-450 by norethisterone (PubMed ID 284396 ).
MeOSuc-Ala-Ala-Pro-Val-PNA
Galactosylpyridinoline
Lecimibide
chlorophyllide a
Chlorophyllide a is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Chlorophyllide a can be found in a number of food items such as wax apple, burbot, epazote, and cocoa bean, which makes chlorophyllide a a potential biomarker for the consumption of these food products.
[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 4,5,10-triacetate 6-benzoate
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
isotriuvaretin
Triuvaretin
methyl (4S,5Z,6S)-4-[2-[[(1S,2R,3R,5R)-5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
4,5,10-Triacetoxy-5a-(acetoxymethyl)-6-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin-9-ol
5,7,10-Triacetoxy-5a-(acetoxymethyl)-4-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin-6-ol
4,6-dihydroxy-3-(7-hydroxy-6-methoxy-1-oxo-3-pentyl-1H-isochromen-8-yloxy)-2-pentyl-benzoic acid benzyl ester
5,14-dihydroxy-3beta-(O3-methyl-6-deoxy-alpha(?)-L(?)-glucopyranosyloxy)-16,19-dioxo-5beta,14beta-bufa-20,22-dienolide|5,14-Dihydroxy-3beta-(O3-methyl-6-desoxy-alpha(?)-L(?)-glucopyranosyloxy)-16,19-dioxo-5beta,14beta-bufa-20,22-dienolid
maireine B|methyl (5alpha,12beta,19alpha)-2,3-didehydro-20-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}aspidospermidine-3-carboxylate
4,6,10-Triacetoxy-5a-(acetoxymethyl)-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin-9-ol
11beta,19-diacetoxy-1-deacetyl-1-epidihydronomilin
eugenol-O-[beta-D-xylopyranosyl-(1->5)-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside]
(2beta,3beta,6alpha,7alpha)-3-deoxo-6,7-epoxy-1,2,5,6-tetrahydro-3,5-dihydroxyresiniferonol 20-benzoate 9,13,14-orthobenzoate|genkwanine M|rel-(2R,3aS,3bR,3cR,4aS,5R,5aS,6R,7R,8aS,8bS,9S,10aS)-4a-[(benzoyloxy)methyl]dodecahydro-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-5aH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxole-5,5a,6-triol
(2beta,3beta,5beta,6alpha,7alpha)-3-deoxo-6,7-epoxy-1,2,6,7-tetrahydro-3,5-dihydroxyresiniferonol 3-benzoate 9,13,14-orthobenzoate|genkwanine N|rel-(2R,3aS,3bR,3cR,4aS,5R,5aR,6R,7R,8aS,8bS,9S,10aS)-dodecahydro-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-5aH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxole-5,5a,6-triol 6-benzoate
6,7,10-Triacetoxy-5a-(acetoxymethyl)-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin-9-ol
2alpha,9beta-di-(beta-furancarbonyloxy)-4beta,6beta,15-trihydroxy-1alpha-(2)-methyl-butanoyloxy-dihydro-beta-agarofuran
4,8-dihydroxy-3-methoxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid benzyl ester|Benzyl-lividat
Ajuganipponin A
Ajuganipponin A is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is an acetate ester, a butenolide, a diterpene lactone, an enoate ester and a spiro-epoxide. Ajuganipponin A is a natural product found in Ajuga ciliata with data available. A diterpene lactone isolated from the whole plants of Ajuga ciliata.
1-O-benzoyl-28-oxosalannic acid methyl ester|1-O-decinnamoyl-1-O-benzoyl-28-oxoohchinin
1alpha,6beta,8alpha,13-tetraacetoxy-9alpha-benzoyloxy-2alpha-hydroxy-beta-dihydroagarofuran
3,21-Disulfate-(3alpha,4beta)-Ergosta-5,24(28)-diene-3,4,21-triol
methyl 1alpha-acetoxy-3beta,6,8alpha-trihydroxy-2alpha-methoxy-2beta,14beta-epoxy-[4.2.110,30.11,4]-tricyclomeliac-7-oate
24epsilon,25-dimethyl-5-cholesten-2beta,3alpha-diol 2beta,3alpha-di(ammonium sulfate)|24xi,25-dimethylcholest-5-ene-2beta,3alpha-diol di(ammonium sulfate)
methyl (4S,5Z,6S)-4-[2-[[(1S,2R,3R,5R)-5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_major
Ala Glu Trp Trp
Ala Trp Glu Trp
Ala Trp Trp Glu
Cys Pro Trp Trp
Cys Trp Pro Trp
Cys Trp Trp Pro
Asp Asp Arg Trp
Asp Asp Trp Arg
Asp Phe Phe Tyr
Asp Phe Tyr Phe
Asp Arg Asp Trp
Asp Arg Trp Asp
Asp Trp Asp Arg
Asp Trp Arg Asp
Asp Tyr Phe Phe
Glu Ala Trp Trp
Glu Glu Lys Trp
Glu Glu Gln Trp
Glu Glu Trp Lys
Glu Glu Trp Gln
Glu Lys Glu Trp
Glu Lys Trp Glu
Glu Met Arg Arg
Glu Gln Glu Trp
Glu Gln Trp Glu
Glu Arg Met Arg
Glu Arg Arg Met
Glu Arg Thr Trp
Glu Arg Trp Thr
Glu Thr Arg Trp
Glu Thr Trp Arg
Glu Trp Ala Trp
Glu Trp Glu Lys
Glu Trp Glu Gln
Glu Trp Lys Glu
Glu Trp Gln Glu
Glu Trp Arg Thr
Glu Trp Thr Arg
Glu Trp Trp Ala
Phe Asp Phe Tyr
Phe Asp Tyr Phe
Phe Phe Asp Tyr
Phe Phe Phe Met
Phe Phe Met Phe
Phe Phe Tyr Asp
Phe Met Phe Phe
Phe Met Met Tyr
Phe Met Tyr Met
Phe Val Tyr Tyr
Phe Tyr Asp Phe
Phe Tyr Phe Asp
Phe Tyr Met Met
Phe Tyr Val Tyr
Phe Tyr Tyr Val
Ile Ser Trp Trp
Ile Trp Ser Trp
Ile Trp Trp Ser
Lys Glu Glu Trp
Lys Glu Trp Glu
Lys Trp Glu Glu
Leu Ser Trp Trp
Leu Trp Ser Trp
Leu Trp Trp Ser
Met Glu Arg Arg
Met Phe Phe Phe
Met Phe Met Tyr
Met Phe Tyr Met
Met Met Phe Tyr
Met Met Tyr Phe
Met Arg Glu Arg
Met Arg Arg Glu
Met Arg Val Trp
Met Arg Trp Val
Met Val Arg Trp
Met Val Trp Arg
Met Trp Arg Val
Met Trp Val Arg
Met Tyr Phe Met
Met Tyr Met Phe
Pro Cys Trp Trp
Pro Trp Cys Trp
Pro Trp Trp Cys
Gln Glu Glu Trp
Gln Glu Trp Glu
Gln Trp Glu Glu
Arg Asp Asp Trp
Arg Asp Trp Asp
Arg Glu Met Arg
Arg Glu Arg Met
Arg Glu Thr Trp
Arg Glu Trp Thr
Arg Met Glu Arg
Arg Met Arg Glu
Arg Met Val Trp
Arg Met Trp Val
Arg Arg Glu Met
Arg Arg Met Glu
Arg Thr Glu Trp
Arg Thr Trp Glu
Arg Val Met Trp
Arg Val Trp Met
Arg Trp Asp Asp
Arg Trp Glu Thr
Arg Trp Met Val
Arg Trp Thr Glu
Arg Trp Val Met
Ser Ile Trp Trp
Ser Leu Trp Trp
Ser Trp Ile Trp
Ser Trp Leu Trp
Ser Trp Trp Ile
Ser Trp Trp Leu
Thr Glu Arg Trp
Thr Glu Trp Arg
Thr Arg Glu Trp
Thr Arg Trp Glu
Thr Val Trp Trp
Thr Trp Glu Arg
Thr Trp Arg Glu
Thr Trp Val Trp
Thr Trp Trp Val
Val Phe Tyr Tyr
Val Met Arg Trp
Val Met Trp Arg
Val Arg Met Trp
Val Arg Trp Met
Val Thr Trp Trp
Val Trp Met Arg
Val Trp Arg Met
Val Trp Thr Trp
Val Trp Trp Thr
Val Tyr Phe Tyr
Val Tyr Tyr Phe
Trp Ala Glu Trp
Trp Ala Trp Glu
Trp Cys Pro Trp
Trp Cys Trp Pro
Trp Asp Asp Arg
Trp Asp Arg Asp
Trp Glu Ala Trp
Trp Glu Glu Lys
Trp Glu Glu Gln
Trp Glu Lys Glu
Trp Glu Gln Glu
Trp Glu Arg Thr
Trp Glu Thr Arg
Trp Glu Trp Ala
Trp Ile Ser Trp
Trp Ile Trp Ser
Trp Lys Glu Glu
Trp Leu Ser Trp
Trp Leu Trp Ser
Trp Met Arg Val
Trp Met Val Arg
Trp Pro Cys Trp
Trp Pro Trp Cys
Trp Gln Glu Glu
Trp Arg Asp Asp
Trp Arg Glu Thr
Trp Arg Met Val
Trp Arg Thr Glu
Trp Arg Val Met
Trp Ser Ile Trp
Trp Ser Leu Trp
Trp Ser Trp Ile
Trp Ser Trp Leu
Trp Thr Glu Arg
Trp Thr Arg Glu
Trp Thr Val Trp
Trp Thr Trp Val
Trp Val Met Arg
Trp Val Arg Met
Trp Val Thr Trp
Trp Val Trp Thr
Trp Trp Ala Glu
Trp Trp Cys Pro
Trp Trp Glu Ala
Trp Trp Ile Ser
Trp Trp Leu Ser
Trp Trp Pro Cys
Trp Trp Ser Ile
Trp Trp Ser Leu
Trp Trp Thr Val
Trp Trp Val Thr
Tyr Asp Phe Phe
Tyr Phe Asp Phe
Tyr Phe Phe Asp
Tyr Phe Met Met
Tyr Phe Val Tyr
Tyr Phe Tyr Val
Tyr Met Phe Met
Tyr Met Met Phe
Tyr Val Phe Tyr
Tyr Val Tyr Phe
Tyr Tyr Phe Val
Tyr Tyr Val Phe
N-Benzoyl-Val-Gly-Arg p-nitroanilide hydrochloride
1,2,3,4-Tetra-O-acetyl-6-O-triphenylmethyl-beta-D-glucopyranose
Adipic acid, propylene glycol, isophthalic acid, neopentyl glycol, maleic anhydride polymer
lecimibide
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
butane-1,4-diol,2,2-dimethylpropane-1,3-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
2,3,7,8,12,13,17,18-octaethyl-21h,23h-porphine nickel(ii)
Rescimetol
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
4,5:4,5-dibenzo-1,1,3,3,3,3-hexamethylindadicarbocyanine perchlorate
Butanamide, 2,2-[(3,3-dichloro[1,1-biphenyl]-4,4-diyl)bis(azo)]bis[3-oxo-, N,N-bis(p-anisyl and Ph) derivs.
Talotrexin ammonium
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor
1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
Methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
3-[8,13-bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropylidene)-3,7,12,17-tetramethyl-24H-porphyrin-2-yl]propanoic acid
3-(16-Ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18,20(23),21-dodecaen-22-yl)propanoic acid
3-[(21S,22S)-11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
22-(2-Carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate
2-Amino-4-[4-(2-amino-2-carboxyethyl)-1-[5-amino-5-carboxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-5-hydroxypyridin-1-ium-3-yl]butanoate
3-[(18E)-8,13-bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropylidene)-3,7,12,17-tetramethyl-24H-porphyrin-2-yl]propanoic acid
3-[11,16-Bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-cyclohexyl-1-[[(2S,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
Glu-Glu-Gln-Trp
A pentapeptide composed of two L-glutamic acid units, L-glutamine and L-tryptophan joined in sequence by peptide linkages.
3-cyclohexyl-1-[[(2R,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(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
3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
3-cyclohexyl-1-[[(2S,3S)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3R)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(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
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
(1R)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
3-cyclohexyl-1-[[(2S,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2R,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
3-cyclohexyl-1-[[(2R,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(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)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(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-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
(1S)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
2,4,8-tris(acetyloxy)-5,6-dimethyl-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl 2-methylbut-2-enoate
6,20,21,25-tetramethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-1(30),3,5,7(36),9,11,14,18,20,22(33),24(32),25,27(31),34-tetradecaene
(1s,2s,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,3r,4r,6s,7r,8r,9s,10s,11r,12z,14s,15s,16s)-6,10,15-tris(acetyloxy)-3,7,12,16-tetramethyl-2-oxo-5,18-dioxapentacyclo[12.3.1.0¹,¹⁴.0⁴,⁸.0⁷,⁹]octadec-12-en-11-yl (2s)-2-methylbutanoate
(1'r,2r,3'r,6'z,8'e,10's,13's,14'r,19'r,23'r,24's,25's)-13'-hydroxy-10'-[(1s)-1-hydroxyethyl]-14',21',25'-trimethyl-5',16'-dioxo-4',11',17',27'-tetraoxaspiro[oxirane-2,26'-tetracyclo[21.3.1.0³,²⁵.0¹⁹,²⁴]heptacosane]-6',8',21'-trien-14'-yl acetate
(1s,3r,5s,7r,9r,10s,12r,14r,15s,18r,19r,20r,22s,23r)-14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-20-yl acetate
(1r,2s,5r,6r,10s,13s,14r,16s)-6-(furan-3-yl)-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl benzoate
(2r,3s,4r)-2-{[(2s,3r,4r,5r,6r)-5-{[(2s,3s,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(2s,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,4-dihydroxybutanoic acid
methyl 2-[1-(acetyloxy)-8-(furan-3-yl)-3,15-dihydroxy-14-methoxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.0²,¹⁴.0³,¹².0⁴,¹⁸.0⁷,¹²]nonadecan-17-yl]-2-hydroxyacetate
(1s,2s,3s,7s,8r,9r,10s,12z,14s,17r)-2,7-bis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-9-(propanoyloxy)-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-10-yl butanoate
({22-hydroxy-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18-pentaen-9-yl}oxy)methanimidic acid
6-(furan-3-yl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl benzoate
(2e)-n-[(2e,6z,8z)-11-{4-[(2s)-2-[(3s,4r)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8,11-tetraen-1-yl]-3-methoxy-n-methylbut-2-enamide
2,4,7,8-tetrakis(acetyloxy)-5,9,17,17-tetramethyl-14-oxo-15-oxatetracyclo[7.6.1.1²,⁶.0¹³,¹⁶]heptadeca-5,12-dien-10-yl acetate
methyl (2r)-2-[(1s,2s,3s,4r,7s,8s,12r,14r,15s,16r,17s,18s)-1-(acetyloxy)-8-(furan-3-yl)-3,15-dihydroxy-14-methoxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.0²,¹⁴.0³,¹².0⁴,¹⁸.0⁷,¹²]nonadecan-17-yl]-2-hydroxyacetate
9,12-dihydroxy-10-[(4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione
(2r,3s,4s)-2-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,4-dihydroxybutanoic acid
5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
methyl (2r)-2-[(1s,2r,3r,4r,7s,8s,12r,14r,15s,16s,17s,18s)-1-(acetyloxy)-8-(furan-3-yl)-3,15-dihydroxy-14-methoxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.0²,¹⁴.0³,¹².0⁴,¹⁸.0⁷,¹²]nonadecan-17-yl]-2-hydroxyacetate
[(1s,2r,4s,7s,8s,10s,11r,12r,13r,18r,20r)-10-(acetyloxy)-7-(furan-3-yl)-13,20-dihydroxy-1,8,17,17-tetramethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-12-yl]methyl acetate
14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-9-yl acetate
(1s,2s,5s,6s,7s,8r,9r,12r)-5,8,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2'r,3r,4s,4's,5r,5'r,6s,6'r)-6'-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5'-trihydroxy-2'-(hydroxymethyl)-5-methoxy-6-methyl-[2,4'-bioxan]-3'-yl (2e)-3-phenylprop-2-enoate
9-methyl-3,6-dimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3ah-azuleno[4,5-b]furan-4-yl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
2α,9β-di-(β-furancarbonyloxy)-4β,6β,15-trihy-droxy-1α-(2)-methylbutanoyloxy-dihydro-β-agarofuran
{"Ingredient_id": "HBIN005256","Ingredient_name": "2\u03b1,9\u03b2-di-(\u03b2-furancarbonyloxy)-4\u03b2,6\u03b2,15-trihy-droxy-1\u03b1-(2)-methylbutanoyloxy-dihydro-\u03b2-agarofuran","Alias": "NA","Ingredient_formula": "C30H38O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5507","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,10-trideacetyl-abeo-baccatin vi
{"Ingredient_id": "HBIN012996","Ingredient_name": "7,9,10-trideacetyl-abeo-baccatin vi","Alias": "NA","Ingredient_formula": "C31H42O11","Ingredient_Smile": "CC1C(CC2(C1C(C(C3(C(CC4C(C3C2OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)O)C(C)(C)O)OC(=O)C","Ingredient_weight": "590.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21586","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101663486","DrugBank_id": "NA"}
aceroketoside
{"Ingredient_id": "HBIN014381","Ingredient_name": "aceroketoside","Alias": "NA","Ingredient_formula": "C30H38O12","Ingredient_Smile": "C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CCC(C1)OC4C(C(=O)C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)C=C3","Ingredient_weight": "590.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "102","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101215331","DrugBank_id": "NA"}
ajugacumbin C
{"Ingredient_id": "HBIN014963","Ingredient_name": "ajugacumbin C","Alias": "ajugacumbin c; Ajugacumbin C","Ingredient_formula": "C31H42O11","Ingredient_Smile": "CC=C(C)C(=O)OCC12C(CC(C(C1C(CC(C23CO3)OC(=O)C)OC(=O)C)(C)CCC4=CC(=O)OC4)C)OC(=O)C","Ingredient_weight": "590.66","OB_score": "26.12041063","CAS_id": "124961-68-8","SymMap_id": "SMIT09135;SMIT14202","TCMID_id": "790","TCMSP_id": "MOL007758;MOL007942","TCM_ID_id": "NA","PubChem_id": "6442459","DrugBank_id": "NA"}