Exact Mass: 452.1907048
Exact Mass Matches: 452.1907048
Found 500 metabolites which its exact mass value is equals to given mass value 452.1907048
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Butanoylneosolaniol
8-Butanoylneosolaniol is produced by Fusarium sporotrichioides.
Heteroartonin A
Heteroartonin A is found in fruits. Heteroartonin A is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroartonin A is found in jackfruit and fruits.
8-Isobutanoylneosolaniol
8-Isobutanoylneosolaniol is produced by Fusarium sporotrichioides. Production by Fusarium sporotrichioides
2-(3-(4-((1H-Indazol-5-yl)amino)quinazolin-2-yl)phenoxy)-N-isopropylacetamide
C26H24N6O2 (452.19606439999995)
Fumaryl diketopiperazine
9alpha-Acetoxymelnerin B
[3aR-(3aalpha,4aalpha,5alpha,7abeta,9abeta)]-5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3a,4,4a,5,6,7,7a,9a-octahydro-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
7,8]isoflavone
Artonin S
Absinthifolide
4,8,12-Tris(acetyloxy)-10-[(acetyloxy)methyl]-2,6-dimethyl-2,6,10-dodecatrienal
3,4-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(1-hydroxy-1-methylethyl)-furano-(4,5:6,5)favanone
Erysengalensein C
Dorsmanin D
Heteroartonin A
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-9-methoxy-6-(3-methyl-1-oxobutyl)-4-phenyl-2H-furo[2,3:5,6]benzo[1,2-b]pyran-2-one|Mammea A/AA methoxycyclo F
(7R,8R)-4-O-(glycer-2-yl)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan
1-<4-O-(2-hydroxy-1-hydroxymethylethyl)-3-methoxyphenyl>-2-<4-(1-propanol)-3-methoxyphenyl>-propane-1,3-diol|1-[4-O-(2-hydroxy-1-hydroxymethylethyl)-3-methoxyphenyl]-2-[4-(1-propanol)-3-methoxyphenyl]-propane-1,3-diol
6-(Delta2-isopentenyl)piscerythrone|6-Prenylpiscerythrone|6-prenylpiscerythrone
1,3-Di(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
Tetra-Ac-8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetrio
(1R*,4R*,5R*,8S*,10R*)-1,4-Epoxy-1-ethoxy-5-hydroxy-8-methacryloxy-13-acetoxygermacra-5E,7(11)-dien-6,12-olide
7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-en-1-yl)-6-(3-methyl-2-oxobutyl)-4H-1-benzopyran-4-one|hypargyflavone B
5,7,3,4-Tetrahydroxy-3-methoxy-8,5-diprenylflavone
2,7-((1,1-Bi(1H-indole)-3,3-diyl)bismethylene)dodecahydrocyclobutadipyrazine-3,6-dione
C26H24N6O2 (452.19606439999995)
macaranone B
A tetrahydroxyflavone that is flavonol substituted by additional hydroxy groups at positions 5, 7 and 3, a methoxy group at position 4 and a geranyl group at position 2. It has been isolated from the twigs of Morus nigra.
Fluocinolone Acetonide
C24H30F2O6 (452.20103439999997)
C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid S - Sensory organs > S02 - Otologicals > S02B - Corticosteroids > S02BA - Corticosteroids D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 466; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8722; ORIGINAL_PRECURSOR_SCAN_NO 8717 CONFIDENCE standard compound; INTERNAL_ID 466; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8755; ORIGINAL_PRECURSOR_SCAN_NO 8753 CONFIDENCE standard compound; INTERNAL_ID 466; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8757 CONFIDENCE standard compound; INTERNAL_ID 466; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8810; ORIGINAL_PRECURSOR_SCAN_NO 8805 CONFIDENCE standard compound; INTERNAL_ID 466; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8804 CONFIDENCE standard compound; INTERNAL_ID 466; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8815; ORIGINAL_PRECURSOR_SCAN_NO 8813 CONFIDENCE standard compound; INTERNAL_ID 2402
C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester
C23H32O9_D-Glucitol, 1,5-anhydro-1-C-[2,6-dihydroxy-3-(methoxycarbonyl)-4-[(3Z,5Z)-3,5-nonadien-1-yl]phenyl]-, (1S)
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 4-acetyloxy-3-hydroxy-2-methylidenebutanoate
methyl 2,4-dihydroxy-6-[(3Z,5Z)-nona-3,5-dienyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
Ala Ala Glu Tyr
Ala Ala Tyr Glu
Ala Asp Phe Thr
Ala Asp Thr Phe
Ala Glu Ala Tyr
Ala Glu Phe Ser
Ala Glu His Pro
Ala Glu Pro His
Ala Glu Ser Phe
Ala Glu Tyr Ala
Ala Phe Asp Thr
Ala Phe Glu Ser
Ala Phe Ser Glu
Ala Phe Thr Asp
Ala His Glu Pro
Ala His Pro Glu
Ala Met Met Thr
Ala Met Thr Met
Ala Pro Glu His
Ala Pro His Glu
Ala Ser Glu Phe
Ala Ser Phe Glu
Ala Thr Asp Phe
Ala Thr Phe Asp
Ala Thr Met Met
Ala Tyr Ala Glu
Ala Tyr Glu Ala
Cys His Pro Pro
C19H28N6O5S (452.18417980000004)
Cys Ile Met Ser
Cys Ile Ser Met
Cys Leu Met Ser
Cys Leu Ser Met
Cys Met Ile Ser
Cys Met Leu Ser
Cys Met Ser Ile
Cys Met Ser Leu
Cys Met Thr Val
Cys Met Val Thr
Cys Pro His Pro
C19H28N6O5S (452.18417980000004)
Cys Pro Pro His
C19H28N6O5S (452.18417980000004)
Cys Ser Ile Met
Cys Ser Leu Met
Cys Ser Met Ile
Cys Ser Met Leu
Cys Thr Met Val
Cys Thr Val Met
Cys Val Met Thr
Cys Val Thr Met
Asp Ala Phe Thr
Asp Ala Thr Phe
Asp Phe Ala Thr
Asp Phe Thr Ala
Asp Gly Val Tyr
Asp Gly Tyr Val
Asp Thr Ala Phe
Asp Thr Phe Ala
Asp Val Gly Tyr
Asp Val Tyr Gly
Asp Tyr Gly Val
Asp Tyr Val Gly
Glu Ala Ala Tyr
Glu Ala Phe Ser
Glu Ala His Pro
Glu Ala Pro His
Glu Ala Ser Phe
Glu Ala Tyr Ala
Glu Phe Ala Ser
Glu Phe Gly Thr
Glu Phe Ser Ala
Glu Phe Thr Gly
Glu Gly Phe Thr
Glu Gly Thr Phe
Glu His Ala Pro
Glu His Pro Ala
Glu Pro Ala His
Glu Pro His Ala
Glu Ser Ala Phe
Glu Ser Phe Ala
Glu Thr Phe Gly
Glu Thr Gly Phe
Glu Tyr Ala Ala
Phe Ala Asp Thr
Phe Ala Glu Ser
Phe Ala Ser Glu
Phe Ala Thr Asp
Phe Asp Ala Thr
Phe Asp Thr Ala
Phe Glu Ala Ser
Phe Glu Gly Thr
Phe Glu Ser Ala
Phe Glu Thr Gly
Phe Gly Glu Thr
Phe Gly Thr Glu
Phe Ser Ala Glu
Phe Ser Glu Ala
Phe Thr Ala Asp
Phe Thr Asp Ala
Phe Thr Glu Gly
Phe Thr Gly Glu
Gly Asp Val Tyr
Gly Asp Tyr Val
Gly Glu Phe Thr
Gly Glu Thr Phe
Gly Phe Glu Thr
Gly Phe Thr Glu
Gly Thr Glu Phe
Gly Thr Phe Glu
Gly Val Asp Tyr
Gly Val Tyr Asp
Gly Tyr Asp Val
Gly Tyr Val Asp
His Ala Glu Pro
His Ala Pro Glu
His Cys Pro Pro
C19H28N6O5S (452.18417980000004)
His Glu Ala Pro
His Glu Pro Ala
His Pro Ala Glu
His Pro Cys Pro
C19H28N6O5S (452.18417980000004)
His Pro Glu Ala
His Pro Pro Cys
C19H28N6O5S (452.18417980000004)
Ile Cys Met Ser
Ile Cys Ser Met
Ile Met Cys Ser
Ile Met Ser Cys
Ile Ser Cys Met
Ile Ser Met Cys
Leu Cys Met Ser
Leu Cys Ser Met
Leu Met Cys Ser
Met Cys Thr Val
Met Thr Thr Thr
C17H32N4O8S (452.19407520000004)
Pro Ala Glu His
Pro Ala His Glu
Pro Cys His Pro
C19H28N6O5S (452.18417980000004)
Pro Cys Pro His
C19H28N6O5S (452.18417980000004)
Pro Glu Ala His
Pro Glu His Ala
Pro His Ala Glu
Pro His Cys Pro
C19H28N6O5S (452.18417980000004)
Pro His Glu Ala
Pro His Pro Cys
C19H28N6O5S (452.18417980000004)
Pro Pro Cys His
C19H28N6O5S (452.18417980000004)
Pro Pro His Cys
C19H28N6O5S (452.18417980000004)
Pro Ser Ser Tyr
Pro Ser Tyr Ser
Pro Tyr Ser Ser
Ser Ala Glu Phe
Ser Ala Phe Glu
Ser Cys Met Ile
Ser Cys Met Leu
Ser Glu Ala Phe
Ser Glu Phe Ala
Ser Phe Ala Glu
Ser Phe Glu Ala
Ser Ile Cys Met
Ser Ile Met Cys
Ser Leu Cys Met
Ser Leu Met Cys
Ser Met Cys Ile
Ser Met Cys Leu
Ser Met Ile Cys
Ser Met Leu Cys
Ser Pro Ser Tyr
Ser Pro Tyr Ser
Ser Ser Pro Tyr
Ser Ser Tyr Pro
Ser Tyr Pro Ser
Ser Tyr Ser Pro
Thr Ala Asp Phe
Thr Ala Phe Asp
Thr Ala Met Met
Thr Cys Met Val
Thr Cys Val Met
Thr Asp Ala Phe
Thr Asp Phe Ala
Thr Glu Phe Gly
Thr Glu Gly Phe
Thr Phe Ala Asp
Thr Phe Asp Ala
Thr Phe Glu Gly
Thr Phe Gly Glu
Thr Gly Glu Phe
Thr Gly Phe Glu
Thr Met Ala Met
Thr Met Cys Val
Thr Met Met Ala
Thr Met Thr Thr
C17H32N4O8S (452.19407520000004)
Thr Met Val Cys
Thr Thr Met Thr
C17H32N4O8S (452.19407520000004)
Thr Thr Thr Met
C17H32N4O8S (452.19407520000004)
Thr Val Cys Met
Thr Val Met Cys
Val Cys Met Thr
Val Cys Thr Met
Val Asp Gly Tyr
Val Asp Tyr Gly
Val Gly Asp Tyr
Val Gly Tyr Asp
Val Met Cys Thr
Val Met Thr Cys
Val Thr Cys Met
Val Thr Met Cys
Val Tyr Asp Gly
Val Tyr Gly Asp
Tyr Ala Ala Glu
Tyr Ala Glu Ala
Tyr Asp Gly Val
Tyr Asp Val Gly
Tyr Glu Ala Ala
Tyr Gly Asp Val
Tyr Gly Val Asp
Tyr Pro Ser Ser
Tyr Ser Pro Ser
Tyr Ser Ser Pro
Tyr Val Asp Gly
Tyr Val Gly Asp
6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6b,11b,16b,17a)-Androsta-1,4-diene-17-c
C24H30F2O6 (452.20103439999997)
8-Butanoylneosolaniol
8-Isobutanoylneosolaniol
3-Hydroxy-4-(3-hydroxy-1-propen-2-yl)-2-(3-methoxy-3-oxo-1-propen-2-yl)-5-methyl-5-vinylcyclohexyl 4-acetoxy-3-hydroxy-2-methylenebutanoate
6-amino-5-[(2-cyano-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-Pyridinecarbonitrile
2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy) propyl]amino]-4-methyl-3-Pyridinecarbonitrile
TERT-BUTYL6-(5-(METHOXYCARBONYL)PYRIDIN-3-YL)-4-OXOSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE
25,26,27,28-tetrahydroxycalix[4]arene monoethyl ether
Eprazinone 2HCl
D019141 - Respiratory System Agents > D005100 - Expectorants Eprazinone dihydrochloride is a gent with mucolytic, secretolytic, antitussive, and bronchial antispasmodic properties. Eprazinone dihydrochloride is a neurokinin 1 receptor (NK1R) ligand. Eprazinone dihydrochloride has the potential for chronic bronchitis treatment that improved pulmonary function and arterial partial pressure of oxygen[1][2].
(3R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
(2R,4R)-4-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-1-(TERT-BUTOXYCARBONYL)PYRROLIDINE-2-CARBOXYLICACID
Pierreione B
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3, a 2R,3-dihydroxy-3-methylbutoxyl group at position 4 and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity.
Belumosudil
C26H24N6O2 (452.19606439999995)
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Boc-(2S,4S)-4-amino-1-Fmoc-pyrrolidine-2-carboxylic acid
1,1-Bis((R)-(dimethylamino)(phenyl)methyl)ferrocene
C28H32FeN2 (452.19147419999996)
(6A,11B,16A,17A)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID
C24H30F2O6 (452.20103439999997)
3,3-[Oxybis(2,1-ethanediyloxy)]bis-1-propanamine (2Z)-2-butenedioate (1:2)
C10H24N2O3.2(C4H4O4) (452.20060020000005)
Tetraethylene glycol 4-methylbenzyl ether tosylate
2-tert-butylcyclopenta-1,3-diene,carbanide,hafnium(4+)
Clocortolone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
1-{2-[(4-Chlorophenyl)amino]-2-oxoethyl}-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-YL)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester
N-((1S)-1-(3-Chloro-1-naphthalenyl)ethyl)-2-(4-(4-fluorophenyl)-1-methyl-4-P iperidinyl)-N-methylacetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide
[4-(2,3-Dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone
C25H28N2O4S (452.17696880000005)
3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
(6R,7R,8R)-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
N-[(2S,3R,6R)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6R)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
(6R,7S,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(6S,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(6S,7R,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
N-[(2S,3R,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3S,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6R)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
(6R,7R,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(6S,7S,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(6S,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C25H28N2O4S (452.17696880000005)
(1S,2S,4R,8R,9S,11R,12S,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
C24H30F2O6 (452.20103439999997)
9-[(3,3-dimethyloxiran-2-yl)(methoxy)methyl]-4,6-dihydroxy-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-3-methoxychromen-4-one
2-[5-(5,6-dimethoxy-1-benzofuran-2-yl)-2,5-dimethyloxolan-2-yl]-5,6-dimethoxy-1-benzofuran
4,8-bis(acetyloxy)-2-[2-(acetyloxy)ethylidene]-6,10-dimethyl-11-oxoundeca-5,9-dien-1-yl acetate
2-{2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-5,7-dihydroxy-3-methoxychromen-4-one
1,2,13,18,30,31-hexaazaoctacyclo[20.6.1.1²,⁹.1¹¹,¹⁵.1¹⁶,²⁰.0³,⁸.0¹⁴,¹⁷.0²³,²⁸]dotriaconta-3,5,7,9(32),12,18,22(29),23,25,27-decaene-12,19-diol
C26H24N6O2 (452.19606439999995)
5,7-dihydroxy-8-methoxy-3-[(3-methylbut-2-en-1-yl)oxy]-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}chromen-4-one
(3s,8r)-3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
(3s)-3-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
[(2r,3s,4s,5r,6r)-6-{[(3as,8ar,9ar)-8a-methyl-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-5-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-en-1-yl)-8h,9h-furo[2,3-h]chromen-4-one
(2r,3r)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[2,3-f]chromen-4-one
3-[3,4-dihydroxy-5-methoxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxychromen-4-one
4,6-dihydroxy-9-(2-hydroxy-1-methoxy-3-methylbut-3-en-1-yl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
(11r)-11-(3,4-dihydroxyphenyl)-4-(2-hydroxypropan-2-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-13-one
2-[3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-en-1-yl)chromen-4-one
(2e,4r,6e,8r,10z)-8,12-bis(acetyloxy)-10-[(acetyloxy)methyl]-2,6-dimethyl-1-oxododeca-2,6,10-trien-4-yl acetate
(?)-(10r,10'r)-ligulacephalin b
{"Ingredient_id": "HBIN000194","Ingredient_name": "(?)-(10r,10'r)-ligulacephalin b","Alias": "NA","Ingredient_formula": "C26H28O7","Ingredient_Smile": "CC1(CCC(O1)(C)C2=CC3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12802","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(10s,10's)-ligulacephalin b
{"Ingredient_id": "HBIN000199","Ingredient_name": "(?)-(10s,10's)-ligulacephalin b","Alias": "NA","Ingredient_formula": "C26H28O7","Ingredient_Smile": "CC1(CCC(O1)(C)C2=CC3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,3',4'-tetrahydroxy-3-methoxy-6-geranyl-flavone
{"Ingredient_id": "HBIN011179","Ingredient_name": "5,7,3',4'-tetrahydroxy-3-methoxy-6-geranyl-flavone","Alias": "NA","Ingredient_formula": "C26H28O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21112","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3s,4s,6s)-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-3,16-diol
methyl (3as,4s,5s,10s,11ar)-5-(acetyloxy)-10-(hydroxymethyl)-4-{[(2r)-2-methylbutanoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,10h,11h,11ah-cyclodeca[b]furan-6-carboxylate
3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
(3ar,4r,4as,5r,8r,8ar,9s,9ar)-8,9-bis(acetyloxy)-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-octahydronaphtho[2,3-b]furan-4-yl 2-methylpropanoate
(4s,12r,14r)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetraazaheptacyclo[14.13.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0²⁰,²⁸.0²²,²⁷]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
(11r,14r,15s,16r,17r,20s)-1,2,13,18,30,31-hexaazaoctacyclo[20.6.1.1²,⁹.1¹¹,¹⁵.1¹⁶,²⁰.0³,⁸.0¹⁴,¹⁷.0²³,²⁸]dotriaconta-3,5,7,9(32),12,18,22(29),23,25,27-decaene-12,19-diol
C26H24N6O2 (452.19606439999995)
(2s)-5-hydroxy-2-(4-hydroxyphenyl)-10-[(2s,3r)-3-methoxy-4,4-dimethyloxetan-2-yl]-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
methyl 2,4-dihydroxy-6-[(3e,5z)-nona-3,5-dien-1-yl]-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
[(2r,3s,4s,5r,6s)-6-{[(3ar,4ar,5r,7as,9as)-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(3r)-6-[(1z,4e,6e,8e)-1-hydroxy-10-methyl-3-oxododeca-1,4,6,8-tetraen-1-yl]-11-(hydroxymethyl)-3-methyl-4,12-dioxatricyclo[7.4.0.0³,⁷]trideca-1(13),6,8-triene-2,5-dione
[(2r,3s,4s,5r,6s)-6-{[(3ar,4ar,5r,7as,9as)-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
11-{6,6-dimethyl-1-methylidene-8-oxo-2,7-dioxaspiro[4.5]dec-9-en-3-yl}-6-(furan-3-yl)-7,11-dimethyl-2,5-dioxatricyclo[5.4.0.0¹,³]undec-9-en-4-one
3-[(3r,6s,12s,15s)-12-(2-carboxyethyl)-5,14-dihydroxy-2,11-dioxo-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadeca-4,13-dien-3-yl]propanoic acid
[(2r,3s,4s,5r,6s)-6-{[(3as,4ar,5r,7as,9ar)-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3-[2,7-dihydroxy-3-(2-methylbut-3-en-2-yl)indol-3-yl]-2-[(1,2-dihydroxy-3-phenylpropylidene)amino]propanoic acid
3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
1-{5,10-dihydroxy-9-methoxy-2,2,8,8-tetramethyl-9h,10h-pyrano[2,3-h]chromen-6-yl}-3-(4-hydroxyphenyl)prop-2-en-1-one
2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-3,16-diol
[(2r,3s,4s,5r,6s)-6-{[(3ar,4ar,5r,7ar,9ar)-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(1s,2s,3r,4r,5s)-5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl (2z)-4-(acetyloxy)-2-(hydroxymethyl)but-2-enoate
(2s)-5-hydroxy-2-(4-hydroxyphenyl)-10-[(2s,3s)-3-methoxy-4,4-dimethyloxetan-2-yl]-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
methyl 5-(acetyloxy)-10-(hydroxymethyl)-4-[(2-methylbutanoyl)oxy]-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,10h,11h,11ah-cyclodeca[b]furan-6-carboxylate
(3s,4r)-9-[(r)-[(2s)-3,3-dimethyloxiran-2-yl](methoxy)methyl]-4,6-dihydroxy-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
2-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one
methyl 2,4-dihydroxy-6-[(3z,5e)-nona-3,5-dien-1-yl]-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
(1s,2s,3s,8s,10r,11s)-6-[(acetyloxy)methyl]-11-ethoxy-2-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradec-6-en-8-yl 2-methylprop-2-enoate
(1r,4s,6s,8s,9r,12r,13s,14s,16r,17s)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-6-yl acetate
(1s,4s,6s,8r,9r,12s,13s,16s,17s)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-6-yl acetate
(8s,9r)-5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-en-1-yl)-8h,9h-furo[2,3-h]chromen-4-one
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[2-(5-oxo-2h-furan-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
3-[2,4-dihydroxy-5-methoxy-3,6-bis(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxychromen-4-one
(1z,4r,12s,14s,17z)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetraazaheptacyclo[14.13.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0²⁰,²⁸.0²²,²⁷]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
2-{3,4-dihydroxy-2-[(2,6,6-trimethylcyclohex-2-en-1-yl)methyl]phenyl}-5,7-dihydroxy-3-methoxychromen-4-one
(3s,4r)-9-[(s)-[(2s)-3,3-dimethyloxiran-2-yl](methoxy)methyl]-4,6-dihydroxy-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
2-[(2s,5s)-5-(5,6-dimethoxy-1-benzofuran-2-yl)-2,5-dimethyloxolan-2-yl]-5,6-dimethoxy-1-benzofuran
(2s)-3-[(3s)-2,7-dihydroxy-3-(2-methylbut-3-en-2-yl)indol-3-yl]-2-{[(2s)-1,2-dihydroxy-3-phenylpropylidene]amino}propanoic acid
(1r,3r,4r,5r,6r,8s,18r,19s)-3-chloro-4-ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.0⁵,¹⁹.0⁶,⁸.0¹⁰,¹⁸.0¹²,¹⁷]icosa-10,12,14,16-tetraene-18,19-diol
C26H29ClN2O3 (452.18665940000005)