Exact Mass: 592.2742
Exact Mass Matches: 592.2742
Found 500 metabolites which its exact mass value is equals to given mass value 592.2742
,
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).
Hexobendine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
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>
3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide
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]
2-{[5,7-dihydroxy-2,2-dimethyl-6-butanoyl-8-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin F
(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
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
2-{[5,7-dihydroxy-2,2-dimethyl-8-butanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin A
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
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
Glu Cys Arg Trp
Glu Cys Trp Arg
Glu Lys Met Trp
Glu Lys Trp Met
Glu Met Lys Trp
Glu Met Trp Lys
Glu Arg Cys Trp
Glu Arg Trp Cys
Glu Trp Cys Arg
Glu Trp Lys Met
Glu Trp Met Lys
Glu Trp Arg Cys
Phe Ile Gln Trp
Phe Ile Trp Gln
Phe Leu Gln Trp
Phe Leu Trp Gln
Phe Gln Ile Trp
Phe Gln Leu Trp
Phe Gln Trp Ile
Phe Gln Trp Leu
Phe Thr Tyr Tyr
Phe Trp Ile Gln
Phe Trp Leu Gln
Phe Trp Gln Ile
Phe Trp Gln Leu
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
Ile Phe Gln Trp
Ile Phe Trp Gln
Ile Gln Phe Trp
Ile Gln Trp Phe
Ile Trp Phe Gln
Ile Trp Gln Phe
Lys Glu Met Trp
Lys Glu Trp Met
Lys Met Glu Trp
Lys Met Trp Glu
Lys Pro Trp Tyr
Lys Pro Tyr Trp
Lys Trp Glu Met
Lys Trp Met Glu
Lys Trp Pro Tyr
Lys Trp Tyr Pro
Lys Tyr Pro Trp
Lys Tyr Trp Pro
Leu Phe Gln Trp
Leu Phe Trp Gln
Leu Gln Phe Trp
Leu Gln Trp Phe
Leu Trp Phe Gln
Leu Trp Gln Phe
Met Ala Trp Trp
Met Glu Lys Trp
Met Glu Trp Lys
Met Lys Glu Trp
Met Lys Trp Glu
Met Met Arg Arg
Met Arg Met Arg
Met Arg Arg Met
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 Lys 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 Lys Trp Tyr
Pro Lys Tyr Trp
Pro Gln Trp Tyr
Pro Gln Tyr Trp
Pro Trp Lys Tyr
Pro Trp Gln Tyr
Pro Trp Tyr Lys
Pro Trp Tyr Gln
Pro Tyr Lys Trp
Pro Tyr Gln Trp
Pro Tyr Trp Lys
Pro Tyr Trp Gln
Gln Phe Ile Trp
Gln Phe Leu Trp
Gln Phe Trp Ile
Gln Phe Trp Leu
Gln Ile Phe Trp
Gln Ile Trp Phe
Gln Leu Phe Trp
Gln Leu Trp Phe
Gln Pro Trp Tyr
Gln Pro Tyr Trp
Gln Trp Phe Ile
Gln Trp Phe Leu
Gln Trp Ile Phe
Gln Trp Leu Phe
Gln Trp Pro Tyr
Gln Trp Tyr Pro
Gln Tyr Pro Trp
Gln Tyr Trp Pro
Arg Met Met Arg
Arg Met Arg Met
Arg Met Thr Trp
Arg Met Trp Thr
Arg Arg Met Met
Arg Thr Met Trp
Arg Thr Trp Met
Arg Trp Met Thr
Arg Trp Thr Met
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 Val Trp
Trp Cys Trp Val
Trp Glu Lys Met
Trp Glu Met Lys
Trp Phe Ile Gln
Trp Phe Leu Gln
Trp Phe Gln Ile
Trp Phe Gln Leu
Trp His His Asn
Trp His Asn His
Trp Ile Phe Gln
Trp Ile Gln Phe
Trp Lys Glu Met
Trp Lys Met Glu
Trp Lys Pro Tyr
Trp Lys Tyr Pro
Trp Leu Phe Gln
Trp Leu Gln Phe
Trp Met Ala Trp
Trp Met Glu Lys
Trp Met Lys Glu
Trp Met Arg Thr
Trp Met Thr Arg
Trp Met Trp Ala
Trp Asn His His
Trp Pro Lys Tyr
Trp Pro Gln Tyr
Trp Pro Tyr Lys
Trp Pro Tyr Gln
Trp Gln Phe Ile
Trp Gln Phe Leu
Trp Gln Ile Phe
Trp Gln Leu Phe
Trp Gln Pro Tyr
Trp Gln Tyr Pro
Trp Arg Met Thr
Trp Arg Thr Met
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 Met Ala
Trp Trp Thr Thr
Trp Trp Val Cys
Trp Tyr Lys Pro
Trp Tyr Pro Lys
Trp Tyr Pro Gln
Trp Tyr Gln Pro
Tyr Phe Thr Tyr
Tyr Phe Tyr Thr
Tyr His His His
Tyr Lys Pro Trp
Tyr Lys Trp Pro
Tyr Pro Lys Trp
Tyr Pro Gln Trp
Tyr Pro Trp Lys
Tyr Pro Trp Gln
Tyr Gln Pro Trp
Tyr Gln Trp Pro
Tyr Thr Phe Tyr
Tyr Thr Tyr Phe
Tyr Trp Lys Pro
Tyr Trp Pro Lys
Tyr Trp Pro Gln
Tyr Trp Gln Pro
Tyr Tyr Phe Thr
Tyr Tyr Thr Phe
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
hexobendine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
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
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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
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
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
(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"}
5alpha-cinnamoyloxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN011414","Ingredient_name": "5alpha-cinnamoyloxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene","Alias": "5\u03b1-cinnamoyloxy-9\u03b1,10\u03b2,13\u03b1-triacetoxytaxa-4(20),11-diene","Ingredient_formula": "C35H44O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30787;3717","TCMSP_id": "NA","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"}