Exact Mass: 592.2468
Exact Mass Matches: 592.2468
Found 500 metabolites which its exact mass value is equals to given mass value 592.2468
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pheophorbide a
D011838 - Radiation-Sensitizing Agents Pheophorbide A is an intermediate product in the chlorophyll degradation pathway and can be used as a photosensitizer. Pheophorbide A acts as a lymphovascular activator with antitumor activity[1]. Pheophorbide a. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=15664-29-6 (retrieved 2024-08-21) (CAS RN: 15664-29-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Osmanthuside B
Osmanthuside B is found in herbs and spices. Osmanthuside B is isolated from leaves of Osmanthus fragrans (sweet osmanthus). Isolated from leaves of Osmanthus fragrans (sweet osmanthus). Osmanthuside B is found in herbs and spices.
8-Acetoxy-4'-methoxypinoresinol 4-glucoside
8-Acetoxy-4-methoxypinoresinol 4-glucoside is found in fats and oils. 8-Acetoxy-4-methoxypinoresinol 4-glucoside is a constituent of Olea europaea (olive). Constituent of Olea europaea (olive). 8-Acetoxy-4-methoxypinoresinol 4-glucoside is found in pomes, fats and oils, and herbs and spices.
Pheophorbide a
Cepharanoline
Cepharanoline is a natural product found in Stephania cephalantha and Stephania rotunda with data available.
3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>
(3alpha,4beta,24s)-3,21-Disulfdte,Cholesta-5,25-diene-3,4,21,24-tetrol
3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide
11,17-dimethoxy-18-(7-methoxy-benzo[1,3]dioxole-5-carbonyloxy)-yohimbane-16-carboxylic acid methyl ester|Veneserpin
Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]
Me glycoside,hexa-Ac-4-O-alpha-D-Mannopyranosyl-L-rhamnose
(2R,8E,11R,13S)-8-[(acetoxy)methyl]-5-hydroxy-4,14,15,15-tetramethyl-7-oxobicyclo[9.3.1]pentadeca-1(14),3,8-triene-2,3,10,13-tetrayl tetraacetate|(3E,8E)-2alpha,9,10beta,13alpha,20-pentaacetoxy-7beta-hydroxy-3,8-secotaxa-3,8,11-trien-5-one
1-O-benzoyl-17-defurano-17-(2-buten-4-olide-2-yl)salannic acid methyl ester|1-O-decinnamoyl-1-O-benzoylohchininolide
Osmanthuside B
6-alpha-L-rhamnosyl,8-O-acetylshanzhiside methyl ester
1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol
3??,5??,7??,8??,15??-Pentaacetoxyjatropha-6(17),11E-dien-9,14-dione
1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran
14-hydroxy-11,13-dihydrohypocretenolide-beta-D-glucopyranoside tetraacetate
Bruceantinol A
Bruceantinol A is a natural product found in Brucea javanica with data available.
Dronedarone hydrochloride
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]
(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
Ala Met Trp Trp
Ala Trp Met Trp
Ala Trp Trp Met
Cys Glu Arg Trp
Cys Glu Trp Arg
Cys Arg Glu Trp
Cys Arg Trp Glu
Cys Val Trp Trp
Cys Trp Glu Arg
Cys Trp Arg Glu
Cys Trp Val Trp
Cys Trp Trp Val
Asp Ser Trp Trp
Asp Trp Ser Trp
Asp Trp Trp Ser
Glu Cys Arg Trp
Glu Cys Trp Arg
Glu Lys Met Trp
Glu Lys Trp Met
Glu Met Lys Trp
Glu Met Gln Trp
Glu Met Trp Lys
Glu Met Trp Gln
Glu Gln Met Trp
Glu Gln Trp Met
Glu Arg Cys Trp
Glu Arg Trp Cys
Glu Trp Cys Arg
Glu Trp Lys Met
Glu Trp Met Lys
Glu Trp Met Gln
Glu Trp Gln Met
Glu Trp Arg Cys
Phe Thr Tyr Tyr
Phe Tyr Thr Tyr
Phe Tyr Tyr Thr
His His His Tyr
His His Asn Trp
His His Trp Asn
His His Tyr His
His Asn His Trp
His Asn Trp His
His Trp His Asn
His Trp Asn His
His Tyr His His
Lys Glu Met Trp
Lys Glu Trp Met
Lys Met Glu Trp
Lys Met Trp Glu
Lys Trp Glu Met
Lys Trp Met Glu
Met Ala Trp Trp
Met Glu Lys Trp
Met Glu Gln Trp
Met Glu Trp Lys
Met Glu Trp Gln
Met Lys Glu Trp
Met Lys Trp Glu
Met Met Arg Arg
Met Gln Glu Trp
Met Gln Trp Glu
Met Arg Thr Trp
Met Arg Trp Thr
Met Thr Arg Trp
Met Thr Trp Arg
Met Trp Ala Trp
Met Trp Glu Lys
Met Trp Glu Gln
Met Trp Lys Glu
Met Trp Gln Glu
Met Trp Arg Thr
Met Trp Thr Arg
Met Trp Trp Ala
Asn His His Trp
Asn His Trp His
Asn Trp His His
Pro Gln Trp Tyr
Pro Gln Tyr Trp
Pro Trp Gln Tyr
Pro Trp Tyr Gln
Pro Tyr Gln Trp
Pro Tyr Trp Gln
Gln Glu Met Trp
Gln Glu Trp Met
Gln Met Glu Trp
Gln Met Trp Glu
Gln Pro Trp Tyr
Gln Pro Tyr Trp
Gln Trp Glu Met
Gln Trp Met Glu
Gln Trp Pro Tyr
Gln Trp Tyr Pro
Gln Tyr Pro Trp
Gln Tyr Trp Pro
Arg Cys Glu Trp
Arg Cys Trp Glu
Arg Glu Cys Trp
Arg Glu Trp Cys
Arg Met Thr Trp
Arg Met Trp Thr
Arg Thr Met Trp
Arg Thr Trp Met
Arg Trp Cys Glu
Arg Trp Glu Cys
Arg Trp Met Thr
Arg Trp Thr Met
Ser Asp Trp Trp
Ser Trp Asp Trp
Ser Trp Trp Asp
Thr Phe Tyr Tyr
Thr Met Arg Trp
Thr Met Trp Arg
Thr Arg Met Trp
Thr Arg Trp Met
Thr Thr Trp Trp
Thr Trp Met Arg
Thr Trp Arg Met
Thr Trp Thr Trp
Thr Trp Trp Thr
Thr Tyr Phe Tyr
Thr Tyr Tyr Phe
Val Cys Trp Trp
Val Trp Cys Trp
Val Trp Trp Cys
Trp Ala Met Trp
Trp Ala Trp Met
Trp Cys Glu Arg
Trp Cys Arg Glu
Trp Cys Val Trp
Trp Cys Trp Val
Trp Asp Ser Trp
Trp Asp Trp Ser
Trp Glu Cys Arg
Trp Glu Lys Met
Trp Glu Met Lys
Trp Glu Met Gln
Trp Glu Gln Met
Trp Glu Arg Cys
Trp His His Asn
Trp His Asn His
Trp Lys Glu Met
Trp Lys Met Glu
Trp Met Ala Trp
Trp Met Glu Lys
Trp Met Glu Gln
Trp Met Lys Glu
Trp Met Gln Glu
Trp Met Arg Thr
Trp Met Thr Arg
Trp Met Trp Ala
Trp Asn His His
Trp Pro Gln Tyr
Trp Pro Tyr Gln
Trp Gln Glu Met
Trp Gln Met Glu
Trp Gln Pro Tyr
Trp Gln Tyr Pro
Trp Arg Cys Glu
Trp Arg Glu Cys
Trp Arg Met Thr
Trp Arg Thr Met
Trp Ser Asp Trp
Trp Ser Trp Asp
Trp Thr Met Arg
Trp Thr Arg Met
Trp Thr Thr Trp
Trp Thr Trp Thr
Trp Val Cys Trp
Trp Val Trp Cys
Trp Trp Ala Met
Trp Trp Cys Val
Trp Trp Asp Ser
Trp Trp Met Ala
Trp Trp Ser Asp
Trp Trp Thr Thr
Trp Trp Val Cys
Trp Tyr Pro Gln
Trp Tyr Gln Pro
Tyr Phe Thr Tyr
Tyr Phe Tyr Thr
Tyr His His His
Tyr Pro Gln Trp
Tyr Pro Trp Gln
Tyr Gln Pro Trp
Tyr Gln Trp Pro
Tyr Thr Phe Tyr
Tyr Thr Tyr Phe
Tyr Trp Pro Gln
Tyr Trp Gln Pro
Tyr Tyr Phe Thr
Tyr Tyr Thr Phe
8-Acetoxy-4'-methoxypinoresinol 4-glucoside
3-(?-D-Glucopyranosyloxy)-4,6-dihydroxy-2-nonylphenyl ?-D-glucopyranoside
(R)-3,3-Bis(2,4,6-trimethylphenyl)-5,5,6,6,7,7,8,8-octahydro-1,1-bi-2-naphthyl Hydrogen Phosphate
2-[2-[3-[2-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(phenylthio)-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium chloride
Sparsentan
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist Sparsentan (RE-021) is a highly potent dual angiotensin II and endothelin A receptor antagonist with Kis of 0.8 and 9.3 nM, respectively[1].
Ulimorelin hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism
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-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoic acid
3-[(21S,22S)-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(24),19-undecaen-22-yl]propanoic acid
3-[8,13-Bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
3-[(11E,12R,21S,22S)-16-ethenyl-11-ethylidene-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),9,13,15(24),16,18,20(23)-decaen-22-yl]propanoic acid
4-[[[(2S,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
2-[(2R,4aS,12aS)-8-[(3,4-difluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
4-[[[(2S,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
4-[[[(2S,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
4-(dimethylamino)-N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
2-[[(5S,6R,9R)-14-[[(2-fluoroanilino)-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid
4-[[[(2R,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
4-[[[(2R,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
4-[[[(2R,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide
2-[[(5R,6S,9R)-14-[[(2-fluoroanilino)-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid
2-[[(5S,6R,9S)-14-[[(2-fluoroanilino)-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid
methyl 3-[(17S,18R)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Glu-Arg-Gly-Met-Thr
A pentapeptide composed of L-glutamic acid, L-arginine, glycine, L-methionine, and L-threonine joined in sequence by peptide linkages.
(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
(1r,2r,4s,7s,8s,11r,12r,18r)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl 4-hydroxybenzoate
n-{3-[n-(3-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}propyl)-1-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]formamido]propyl}-2,3-dihydroxybenzenecarboximidic acid
13-(acetyloxy)-7-(2,5-dihydroxy-4,5-dihydrofuran-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-20-yl acetate
(2e)-4-[(1s,2s,15s,16r,17s,19r)-12-hydroxy-16-methoxy-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-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid
10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),3,7,9,11(36),13,15,17(35),23,25,27(34),29,32-tridecaen-26-ol
[(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
(2z)-4-[(1r,2r,7r,16s,18s)-11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraen-18-yl]-2-methylbut-2-enoic acid
3-[(3r,21s,22s)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic acid
(1s,2s,3as,5s,11s,13s,13ar)-1,3a,11,13-tetrakis(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1h,3h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl acetate
(3as,5ar,6r,9r,9as,9bs)-5a-methyl-3-methylidene-2-oxo-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-3ah-naphtho[1,2-b]furan-6-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
methyl 1-(acetyloxy)-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate
4-amino-4-[(4-carbamimidamido-1-{[({1-[(1-carboxy-2-hydroxypropyl)-c-hydroxycarbonimidoyl]-3-(methylsulfanyl)propyl}-c-hydroxycarbonimidoyl)methyl]-c-hydroxycarbonimidoyl}butyl)-c-hydroxycarbonimidoyl]butanoic acid
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(12r)-4-hydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-12-yl]oxy}oxane-3,4,5-triol
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate
(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
4-{4-[2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl}phenol
[2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate
4-[11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(2r,3r,4r,5r,6r)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(14s)-20,21,25-trimethoxy-15-methyl-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),9,11,18(33),19,21,24(32),25,27(31),34-tridecaen-6-ol
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
{"Ingredient_id": "HBIN003120","Ingredient_name": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate","Alias": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester","Ingredient_formula": "C31H44O11","Ingredient_Smile": "NA","Ingredient_weight": "592.67","OB_score": "23.87206564","CAS_id": "121449-65-8","SymMap_id": "SMIT09131","TCMID_id": "NA","TCMSP_id": "MOL007754","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aceroside iii
{"Ingredient_id": "HBIN014384","Ingredient_name": "aceroside iii","Alias": "NA","Ingredient_formula": "C30H40O12","Ingredient_Smile": "C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CCC(C1)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)C=C3","Ingredient_weight": "592.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "105","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21637602","DrugBank_id": "NA"}
ajugamacrin b
{"Ingredient_id": "HBIN014974","Ingredient_name": "ajugamacrin b","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101370736","DrugBank_id": "NA"}
ajugamarin b2
{"Ingredient_id": "HBIN014977","Ingredient_name": "ajugamarin b2","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)COC(=O)C","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14208","TCMID_id": "803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "180054","DrugBank_id": "NA"}
blepharocalyxin d
{"Ingredient_id": "HBIN018650","Ingredient_name": "blepharocalyxin d","Alias": "NA","Ingredient_formula": "C38H40O6","Ingredient_Smile": "C1C(OC2CC(OC(C2C1C=CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2499","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9985898","DrugBank_id": "NA"}