Exact Mass: 590.2233
Exact Mass Matches: 590.2233
Found 393 metabolites which its exact mass value is equals to given mass value 590.2233
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
MeOSuc-Ala-Ala-Pro-Val-PNA
Corrigendum
Galactosylpyridinoline
Grape seed extract
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
Matterionate B
12-Dihydrodalbin
[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
4-[4-(3-Methyl-2,3-dihydroxybutoxy)-5,5-dimethylspiro[7H-furo[3,2-g][1]benzopyran-7,2-[1,3]dioxolane]-4-ylmethoxy]-7H-furo[3,2-g][1]benzopyran-7-one
Amorphigenol O-glucoside
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
(2,2-Bianthracene)-8,8(5H,5H)-dione, 6,6,7,7-tetrahydro-1,1,5,6,6,9,9-heptahydroxy-3,3-dimethoxy-6,6-dimethyl-
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
O-alpha-L-arabinofuranosyl-(1<*>3)-O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1<*>5)-alpha-L-arabinofuranose|O-alpha-L-arabinofuranosyl-(1[*]3)-O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1[*]5)-alpha-L-arabinofuranose
2,3,5-Tribenzoyl,picrate-beta-D-Ribazole|2,3,5-Tribenzoyl-alpha-D-Ribazole|2,3,5-Tribenzoyl-beta-D-Ribazole
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
O-(5-O-feruloyl-alpha-L-arabinofuranosyl)-(1-->3)-O-beta-D-xylopyranosyl-(1-->4)-D-xylopyranose|O-(5-O-feruloyl-alpha-L-arabinofuranosyl)-(1-3)-O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose|O-<5-O-(trans-feruloyl)-alpha-L-arabinofuranosyl>-(1<*>3)-O-beta-D-xylopyranosyl-(1<*>4)-D-xylopyranose|O-[5-O-(E-feruloyl)-alpha-L-arabinofuranosyl](1->3)-O-beta-D-xylopyranosyl-(1->4)-D-xylopyranose
eugenol-O-[beta-D-xylopyranosyl-(1->5)-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside]
14-O-(4-Hydroxysenecioyl)isovernocistifolid-8-O-angelat
(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
1beta,8beta-difuranoyl-4alpha,5alpha-dihydroxy-7beta,11-diacetoxydihydroagarofuran|triptersinine I
1beta,11beta-diacetoxy-4alpha,7beta-dihydroxy-5alpha,8beta-difuranoyldihydroagarofuran|triptersinine J
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
14-hydroxyhypocretenolide-beta-D-glucopyranoside tetraacetate
methyl 1alpha-acetoxy-3beta,6,8alpha-trihydroxy-2alpha-methoxy-2beta,14beta-epoxy-[4.2.110,30.11,4]-tricyclomeliac-7-oate
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 Met Tyr Tyr
Asp Arg Asp Trp
Asp Arg Trp Asp
Asp Trp Asp Arg
Asp Trp Arg Asp
Asp Tyr Phe Phe
Asp Tyr Met Tyr
Asp Tyr Tyr Met
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 Gln Glu Trp
Glu Gln Trp Glu
Glu Trp Ala Trp
Glu Trp Glu Lys
Glu Trp Glu Gln
Glu Trp Lys Glu
Glu Trp Gln Glu
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 Tyr Asp Phe
Phe Tyr Phe Asp
Phe Tyr Met Met
Lys Glu Glu Trp
Lys Glu Trp Glu
Lys Trp Glu Glu
Met Asp Tyr Tyr
Met Phe Phe Phe
Met Phe Met Tyr
Met Phe Tyr Met
Met Met Phe Tyr
Met Met Tyr Phe
Met Tyr Asp Tyr
Met Tyr Phe Met
Met Tyr Met Phe
Met Tyr Tyr Asp
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 Trp Asp Asp
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 Trp Ala
Trp Lys Glu Glu
Trp Pro Cys Trp
Trp Pro Trp Cys
Trp Gln Glu Glu
Trp Arg Asp Asp
Trp Trp Ala Glu
Trp Trp Cys Pro
Trp Trp Glu Ala
Trp Trp Pro Cys
Tyr Asp Phe Phe
Tyr Asp Met Tyr
Tyr Asp Tyr Met
Tyr Phe Asp Phe
Tyr Phe Phe Asp
Tyr Phe Met Met
Tyr Met Asp Tyr
Tyr Met Phe Met
Tyr Met Met Phe
Tyr Met Tyr Asp
Tyr Tyr Asp Met
Tyr Tyr Met Asp
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
Vorapaxar sulfate
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78274 - Agent Affecting Cardiovascular System
Rescimetol
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
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
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
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
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
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-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
(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
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
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
(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
3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s)-5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}oxan-2-yl]methoxy}pentanoic acid
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
[3,4,5-tris(acetyloxy)-6-({2-methyl-10-methylidene-4,11-dioxo-12-oxatricyclo[7.3.1.0¹,⁵]trideca-2,5-dien-6-yl}methoxy)oxan-2-yl]methyl acetate
(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
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
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
(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
(2r,2'r,5's)-5-hydroxy-5'-(3-{[(2r,2's,5'r)-5-hydroxy-2'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentan]-5'-yl]carbonyloxy}prop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid
9-[(2r,5r)-9'-[(2r)-2,3-dihydroxy-3-methylbutoxy]-4,4-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-5-ylmethoxy]furo[3,2-g]chromen-7-one
[(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
9-[(2s,4s)-9'-[(2r)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-ylmethoxy]furo[3,2-g]chromen-7-one
3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl 3-phenylpropanoate
methyl (2z)-3-[(1r,2r,4s,7s,8s,9s,10r,11r,12s,13r,17s)-10-(acetyloxy)-7-(furan-3-yl)-9,13,17-trihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.0²,⁴.0²,⁸.0¹³,¹⁷]heptadecan-12-yl]prop-2-enoate
21,22-dihydroxy-8-(hydroxymethyl)-8,19,21,26-tetramethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²³,²⁷.0²²,³⁰]triacontane-2,12,20,25-tetrone
(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
(12r,12''r)-diheraclenol
{"Ingredient_id": "HBIN000969","Ingredient_name": "(12r,12''r)-diheraclenol","Alias": "NA","Ingredient_formula": "C32H30O11","Ingredient_Smile": "CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OC(C)(C)C(COC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5534","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}