Exact Mass: 400.2070228
Exact Mass Matches: 400.2070228
Found 500 metabolites which its exact mass value is equals to given mass value 400.2070228
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isokadsuranin
D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents.
11-O-Demethyl-17-O-deacetylvindoline
A derivative of vindoline lacking the 11-O-methyl and 17-O-acetyl substituents.
Cincassiol B
Constituent of Cinnamomum cassia (Chinese cinnamon) [CCD]. Cincassiol B is found in chinese cinnamon and herbs and spices. Cincassiol B is found in chinese cinnamon. Cincassiol B is a constituent of Cinnamomum cassia (Chinese cinnamon).
Marinobufagin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors
Nevskin
Constituent of Ferula assa-foetida (asafoetida). Nevskin is found in herbs and spices and green vegetables. Nevskin is found in green vegetables. Nevskin is a constituent of Ferula assa-foetida (asafoetida)
Melleolide
Melleolide is found in mushrooms. Melleolide is isolated from Armillaria mellea (honey mushroom Isolated from Armillaria mellea (honey mushroom). Melleolide is found in mushrooms.
Lucidone B
Lucidone B is found in mushrooms. Lucidone B is from Ganoderma lucidum (reishi
Armillaritin
Armillaritin is found in mushrooms. Armillaritin is a metabolite of Armillaria mellea (honey mushroom). Metabolite of Armillaria mellea (honey mushroom). Armillaritin is found in mushrooms.
Detca
enprostil
Isofloxythepin
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
Marinobufagenin
Prednisone acetate
Rubschisandrin
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Rotundifoline
Rotundifoline is a member of the class of compounds known as indolizidines. Indolizidines are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen. Rotundifoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rotundifoline can be found in mentha (mint) and spearmint, which makes rotundifoline a potential biomarker for the consumption of these food products.
gomisin N
(+)-schisandrin B is an organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. It has a role as a nephroprotective agent, an apoptosis inhibitor, a plant metabolite, an anti-asthmatic agent, an antioxidant, an anti-inflammatory agent, a neuroprotective agent, a hepatoprotective agent and an antilipemic drug. It is an organic heterotetracyclic compound, an aromatic ether, an oxacycle and a cyclic acetal. gomisin N is a natural product found in Kadsura coccinea, Schisandra propinqua, and other organisms with data available. An organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Gomisin N, isolated from Schisandra chinensis. Gomisin N has the potential for use in the treatment of allergy. Gomisin N is an anti-cancer agent candidate capable of inhibiting the proliferation and inducing the apoptosis in cancer[1][2][3]. Gomisin N, isolated from Schisandra chinensis. Gomisin N has the potential for use in the treatment of allergy. Gomisin N is an anti-cancer agent candidate capable of inhibiting the proliferation and inducing the apoptosis in cancer[1][2][3]. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents.
Ivanuol
Odonticin
[1R-[1alpha(E),2alpha,4abeta,5beta,7alpha]]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid
[1R-[1alpha(E),2alpha,4abeta,5beta,8alpha,8aalpha]]- 1,2,3,4,4a,5,8,8a-Octahydro-8-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid
2,16-dihydroxy-22,23,24,25,26,27-hexanorcucurbit-5-ene-11,20-dione|Hexanorcucurbitacin I
15,16,17-Trimethoxy-21-oxo-aspidoalbidin|19-hydroxy-15,16,17-trimethoxy-aspidospermidin-21-oic acid lactone|O-methyl-21-oxo-N-depropionyl-aspidoalbine
(19R)-1-acetyl-11-methoxy-17,19-epoxy-curane-3,12-diol|11-Hydroxy-12-methoxy-N-acetylstrychnosplendin|12-Hydroxy-11-methoxy-Na-acetylstrychnosplendine|N(a)-acetyl-12-hydroxy-11-methoxystrychnosplendine
Hancinone C
3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid|Desacetylvindolin
(20S,22S,23R,24S)-14beta,22:22,25-diepoxy-5-methoxy-des-A-ergosta-5,7,9,11-tetraene-19,23-diol|blazeispirol E
8-O-(p-coumaroyl)-5beta-hydroperoxy-1(10)E,4(15)-humuladien-8alpha-ol
(8S,7S,8S)-7-Acetoxy-3,4-dimethoxy-3,4-methylenedioxy-7.1-seco-6.7,8.8-neolignan|Ac-4-(3,4-Dimethyoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol
17-nor-7,15-dion-8,11,13-abietatrien-18-butanedioic acid|abiesanordine N
4beta-cinnamoyloxy-7alpha-hydroperoxy-1beta-hydroxyeudesm-8-ene
7-Methyl-3-methylene-6-octen-1-ol-O-beta-D-(2,6-O-diacetylglucopyranoside)|7-Methyl-3-methylene-6-octen-1-ol-O-beta-D-<2,6-O-diacetylglucopyranoside>
7-oxo-8,11,13-abietatriene-18-succinic acid|abiesadine Q
17,19-epoxy-17-hydroxy-11-methoxy-corynane-16-carboxylic acid methyl ester|Tetraphyllinin|Tetraphyllinine
(3aR,4aR,5R,6S,9aS)-2,3,3a,4,4a,5,6,9a-octahydro-3a,9a-dihydroxy-4a,5-dimethyl-3-methylidenenaphto<2,3-b>furan-6-yl (6S,2E,4E)-6-methylocta-2,4-dienoate|(3aR,4aR,5R,6S,9aS)-2,3,3a,4,4a,5,6,9a-octahydro-3a,9a-dihydroxy-4a,5-dimethyl-3-methylidenenaphto[2,3-b]furan-6-yl (6S,2E,4E)-6-methylocta-2,4-dienoate
3-alpha,12-alpha-scilliphaeosidin|3-??,12??-Scilliphaeosidin
20beta,21beta-epoxy-resibufogenin|20S,21-Epoxyresibufogenin
kopsifoline B|methyl (1S,4R,5R,13R,19S,20S)-5,19-dihydroxy-8-methoxy-6,16-diazahexacyclo[11.6.1.11.4.05.13.07.12.016.20]henicosa-7(12),8,10-triene-4-carboxylate
4--3-hydroxy-5-methoxy-phthalaldehyd (Asperugon)|Asperugin|Asperugin B
kadsurenin L
A neolignan with formula C23H28O6, originally isolated from Piper kadsura.
fukanedone B|rel-3(S)-(2,4-dihydroxybenzoyl)-4(R),5(S)-dimethyl-5-[4,8-dimethyl-3(E)-7-nonadien-1-yl]tetrahydro-2-furanone
(10alpha,15beta)-15-(but-3-enoyloxy)-6-oxokaur-16-en-18-oic acid|blepharispin B
(+)-2R,7R,15R,17S,19S-10-demethoxy-12-hydroxy-17,19-epoxygeissovelline|10-demethoxy-12-hydroxy-17,19-epoxygeissovelline
3beta-hydroxy-4,4,14alpha-trimethyl-7,11,15,20-tetraoxo-pregn-8-en|lucidone D
(3??,6??,10alpha)3,6-Dihydroxyfuranoeremophilan-9-one
12beta-hydroxyl resibufogenin|12beta-hydroxyresibufogenin|12??-Hydroxyresibufogenin
6alpha,15beta-diacetoxy-ent-kaura-9(11),16-dien-12-one
(6Z,9R,10E,12Z,15Z)-1-(2,4,6-trihydroxyphenyl)-9-hydroxyoctadeca-6,10,12,15-tetraen-1-one
7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
schisandrin B
Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents.
C22H28N2O5_Methyl (16Z)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate
C23H28O6_6-(Hydroxymethyl)-4-methoxy-6,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate
C24H32O5_2-Propenoic acid, 3-phenyl-, 10-hydroxy-1,6-dimethyl-9-(1-methylethyl)-5,12-dioxatricyclo[9.1.0.0~4,6~]dodec-8-yl ester, (2E)
7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000847022]
7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]
Ala Asp Pro Val
Ala Asp Val Pro
Ala Pro Asp Val
Ala Pro Val Asp
Ala Val Asp Pro
Ala Val Pro Asp
Asp Ala Pro Val
Asp Ala Val Pro
Asp Gly Ile Pro
Asp Gly Leu Pro
Asp Gly Pro Ile
Asp Gly Pro Leu
Asp Ile Gly Pro
Asp Ile Pro Gly
Asp Leu Gly Pro
Asp Leu Pro Gly
Asp Pro Ala Val
Asp Pro Gly Ile
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Asp Pro Ile Gly
Asp Pro Leu Gly
Asp Pro Val Ala
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Asp Val Pro Ala
Glu Gly Pro Val
Glu Gly Val Pro
Glu Pro Gly Val
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Gly Asp Pro Ile
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Gly Glu Pro Val
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Gly Leu Asp Pro
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Gly Pro Asp Ile
Gly Pro Asp Leu
Gly Pro Glu Val
Gly Pro Ile Asp
Gly Pro Leu Asp
Gly Pro Val Glu
Gly Val Glu Pro
Gly Val Pro Glu
Ile Asp Gly Pro
Ile Asp Pro Gly
Ile Gly Asp Pro
Ile Gly Pro Asp
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Pro Ala Asp Val
Pro Ala Val Asp
Pro Asp Ala Val
Pro Asp Gly Ile
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Pro Asp Leu Gly
Pro Asp Val Ala
Pro Glu Gly Val
Pro Glu Val Gly
Pro Gly Asp Ile
Pro Gly Asp Leu
Pro Gly Glu Val
Pro Gly Ile Asp
Pro Gly Leu Asp
Pro Gly Val Glu
Pro Ile Asp Gly
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Pro Leu Asp Gly
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Melleolide
Lucidone B
DNMPT
Armillaritin
Berkeleylactone G
Berkeleylactone H
9-Hydroxy-1-(2,4,6-trihydroxyphenyl)-6Z,10E,12Z,15Z-octadecatetraen-1-one
1,3-diisocyanato-2-methylbenzene,hydrazine,2-methyloxirane,oxirane,propane-1,2,3-triol
1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE
Pyrrolo3,4-cpyrrole-1,4-dione, 3,6-bis4-(1,1-dimethylethyl)phenyl-2,5-dihydro
n-heptyl 4-(4-ethoxyphenoxycarbonyl)phenyl carbonate
16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
(TRANS-3-(4-AMINO-5-(3-(BENZYLOXY)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)CYCLOBUTYL)METHANOL
C24H24N4O2 (400.18991639999996)
1-dodecyl-3-methylimidazolium triflate
C17H31F3N2O3S (400.20073720000005)
Ketoprofen lysine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Gardrin
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BB - Prostaglandins C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
(6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-1,4-dihydroxy-6-methyl-piperazine-2,5-dione
21-acetoxy-9,11β-epoxy-17-hydroxy-9β-pregna-1,4-diene-3,20-dione
1,2-O-(1-methylethylidene)-4-C-[(phenylmethoxy)methyl]-3-O-(phenylmethyl)-L-Lyxofuranose
ethyl prop-2-enoate,2-methylidenehexanoic acid,methyl 2-methylprop-2-enoate,prop-2-enoic acid
2-[4-[2-[4-(2-acetyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl acetate
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamine
C24H24N4O2 (400.18991639999996)
5-(3-methoxyphenoxy)-2-N-(4-propan-2-ylphenyl)quinazoline-2,4-diamine
C24H24N4O2 (400.18991639999996)
Tiocarlide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AD - Thiocarbamide derivatives D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
5-[4-(Dimethylamino)phenyl]-6-[(6-Morpholin-4-Ylpyridin-3-Yl)ethynyl]pyrimidin-4-Amine
C23H24N6O (400.20114939999996)
18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one
A natural product found in Mammea americana.
2H-1-Benzopyran-2-one, 7-[[(1R,2S,4aS,6S,8aR)-decahydro-2,6-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]methoxy]-
(2E,4E,6Z)-8-oxo-8-[(1S,2R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-11-yl]oxyocta-2,4,6-trienoic acid
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
C24H24N4O2 (400.18991639999996)
(10-hydroxy-1,6-dimethyl-9-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl) (E)-3-phenylprop-2-enoate
Rotiorinol B
An azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9 a 5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum.
Ala-Val-Asp-Pro
A tetrapeptide composed of L-alanine, L-valine, L-aspartic acid, and L-proline joined in sequence by peptide linkages.
(1S,5R)-3-[(3-methoxyphenyl)methyl]-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
(1R,5S)-N-(4-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
C24H24N4O2 (400.18991639999996)
(1R,5S)-N-(3-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
C24H24N4O2 (400.18991639999996)
1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea-S-oxide
2,3-Dihydroxypropyl (2-hydroxy-3-undecoxypropyl) hydrogen phosphate
Marinobufogenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors
7alpha-Hydroxy-3,12-dioxochola-1,4-dien-24-oic Acid
(9r,10r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaene
5-[(1s,2r,3r)-6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2h-1,3-benzodioxole
methyl 2-[2,5-dihydroxy-4-(3,7,11-trimethyl-9-oxododeca-2,6,10-trien-1-yl)phenyl]acetate
methyl (1r,10r,12s,19s)-12-ethyl-4,10-dihydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,8-tetraene-10-carboxylate
1-[(4s,12s,13r,16r,17s,18r,20r)-9,20-dihydroxy-8-methoxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-11-yl]ethanone
4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan
methyl (1s,15r,16s,18r,19r,20s)-18-hydroxy-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
7-{[(2e,6e,10s)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]oxy}chromen-2-one
(1s,2s)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]propyl acetate
(1r,8s)-4-(acetyloxy)-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-3-yl acetate
(3e,6s)-3-[(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methylidene]-1,4-dihydroxy-6-methylpiperazine-2,5-dione
6-(3,4-dimethoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-yl acetate
[(2r,3s,4s,5r,6r)-5-(acetyloxy)-3,4-dihydroxy-6-[(7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
(2e,4e,6z)-8-oxo-8-[(1's,2s,2'r,7'r,9'r,11'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yloxy]octa-2,4,6-trienoic acid
(3br,4s,5r,5ar,9ar,9br,11as)-5-hydroxy-3b,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
7-{[(2e)-5-[(1r,3r,6s)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
(3br,4s,5r,5as,9ar,9br,11as)-5-hydroxy-3b,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(3e,5r,8s,11e,13r,16s)-5,13-dihydroxy-8,16-bis[(2s)-2-hydroxypropyl]-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
7-{[(1r,2s,4ar,6s,8as)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
methyl (2z)-2-[(3r,6's,7'r,8'as)-6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
(3r,3as,3bs,7ar,8s,8as)-3-hydroxy-3b,4,4,7a-tetramethyl-octahydroindeno[1,2-c]furan-8-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
10-hydroxy-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 3-phenylprop-2-enoate
7-{[(1s,2r,4ar,6s,8ar)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
methyl (1r,9r,10s,11r,12r,19r)-12-ethyl-5,10,11-trihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraene-10-carboxylate
12β-hydroxyresibufogenin
{"Ingredient_id": "HBIN000759","Ingredient_name": "12\u03b2-hydroxyresibufogenin","Alias": "NA","Ingredient_formula": "C24H32O5","Ingredient_Smile": "CC12CCC(CC1CCC3C2CC(C4(C35C(O5)CC4C6=COC(=O)C=C6)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10671","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20r,21-epoxyresibufogenin
{"Ingredient_id": "HBIN003437","Ingredient_name": "20r,21-epoxyresibufogenin","Alias": "NA","Ingredient_formula": "C24H32O5","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C67C=CC(=O)OC6O7)C)O","Ingredient_weight": "400.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10092398","DrugBank_id": "NA"}
20s,21-epoxyresibufogenin
{"Ingredient_id": "HBIN003471","Ingredient_name": "20s,21-epoxyresibufogenin","Alias": "NA","Ingredient_formula": "C24H32O5","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C67C=CC(=O)OC6O7)C)O","Ingredient_weight": "400.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7192","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10453620","DrugBank_id": "NA"}
3-α,12α-scilliphaeosidin
{"Ingredient_id": "HBIN007894","Ingredient_name": "3-\u03b1,12\u03b1-scilliphaeosidin","Alias": "NA","Ingredient_formula": "C24H32O5","Ingredient_Smile": "CC12CCC(C=C1CCC3C2CC(C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "19512","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroperoxy-4-hydroxy-7-isopropyl-1,4a-dimethyl-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl 3-phenylprop-2-enoate
7-{[(1r,2s,4as,6r,8ar)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
(1r,3s,5r,7s,8r,9s,11s,14r,15s,16s,17r,18s)-3-(acetyloxy)-15,16-dihydroxy-5,7-dimethyl-12-methylidene-10-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-7-ium
[C23H30NO5]+ (400.21238700000004)
(2e,4r,9e)-4-(acetyloxy)-2,5,5,9-tetramethylcycloundeca-2,9-dien-1-yl 4-hydroxybenzoate
7-[(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)oxy]chromen-2-one
(6'r)-7'-[(1e)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6'-ethyl-2-hydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-4'-ium-4'-olate
(1r,2s,4ar,5r,7r)-7-hydroperoxy-5-hydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-1-yl (2e)-3-phenylprop-2-enoate
5-[(1r,2s,4r,5r,6r,7r,10s,11s,14s)-5,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-6-yl]pyran-2-one
(1s,4r,4ar,7s,8ar)-7-hydroperoxy-4-hydroxy-7-isopropyl-1,4a-dimethyl-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl (2e)-3-phenylprop-2-enoate
(1r,2s,4as,8ar)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2r,3s)-2,3-dihydroxy-2-methylbutanoate
(1s,3s,5e,9e,11s,13s,15s)-11,20-dihydroxy-3,7,7,10,16-pentamethyl-2,18-dioxatetracyclo[13.3.3.0¹,¹⁵.0³,¹³]henicosa-5,9,16,19-tetraen-21-one
[2,5-dioxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
(2r,6r,6as,10ar,10br)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1h,2h,6h,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-6-yl 2-methylpropanoate
[5-(acetyloxy)-3,4-dihydroxy-6-[(7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
(1s,4ar,4bs,7s,10ar)-1,4a,7-trimethyl-7-[2-(sulfooxy)ethyl]-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid
(3r,3as,4s,9as)-3-hydroxy-3-isopropyl-7,9a-dimethyl-9-oxo-1h,2h,3ah,4h,5h,6h-cyclopenta[8]annulen-4-yl 4-methoxybenzoate
(1s,3s,5r,10s,14r,15s,17r,18s)-15-acetyl-17-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,13-dione
methyl (2e)-2-[(3r,6's,7's,8'as)-6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
7-{[(1s,2r,4as,6r,8ar)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
(10e)-9-hydroxy-1-(2,4,6-trihydroxyphenyl)octadeca-6,10,12,15-tetraen-1-one
7-{[(2e,6e)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]oxy}chromen-2-one
(1r,3e,8s)-8-hydroperoxy-3,10,10-trimethyl-7-methylidenecycloundec-3-en-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(1r,2r,5r,6r,7s,9s)-5-(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
3-hydroxy-5-methoxy-4-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]benzene-1,2-dicarbaldehyde
4-{[(5r,6e,8r,9r,10s)-10-heptyl-8,9-dihydroxy-2-oxo-3,4,5,8,9,10-hexahydrooxecin-5-yl]oxy}-4-oxobutanoic acid
3-hydroxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-pentylbenzoate
5-[(1r,3as,3br,7r,9ar,9bs,11s,11as)-3a,7,11-trihydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
6-[(2e,4e,6e)-4,6-dimethyl-7-[(1s,2s,4r,5r)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-2,4,6-trien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
4-(4-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)-3-methylbut-3-en-2-one
7-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-6-oxo-2,8-dihydro-1h-naphthalen-2-yl 6-methylocta-2,4-dienoate
methyl (2e)-2-{6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate
methyl (1's,2s,3's,9's)-9'-[(1r)-1-hydroxyethyl]-6-methoxy-3-oxo-1h-7'-azaspiro[indole-2,4'-tricyclo[5.3.1.0³,⁸]undecane]-3'-carboxylate
1-{9,20-dihydroxy-8-methoxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-11-yl}ethanone
(6r,12br)-3,4,9,10,11-pentamethoxy-6-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-6-ium
[C23H30NO5]+ (400.21238700000004)
(3s,4r,5s)-3-(2,4-dihydroxybenzoyl)-5-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-4,5-dimethyloxolan-2-one
4-[(10-heptyl-8,9-dihydroxy-2-oxo-3,4,5,8,9,10-hexahydrooxecin-5-yl)oxy]-4-oxobutanoic acid
7-{[(2e,6e,10r)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]oxy}chromen-2-one
3-hydroxy-5-methoxy-4-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}benzene-1,2-dicarbaldehyde
3a,9a-dihydroxy-4a,5-dimethyl-3-methylidene-2h,4h,5h,6h-naphtho[2,3-b]furan-6-yl 6-methylocta-2,4-dienoate
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-[(2r)-2-methylbutanoyl]-4-pentylchromen-2-one
(9s,13r,14r,16s,17r)-16-acetyl-9,14-dihydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one
methyl (1r,9r,10r,13s,14s,20s)-9,14-dihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6-triene-10-carboxylate
(3s,7s,10s,14r,15s,18r)-15-acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-13,17-dione
[(1s,6r)-2,5-dioxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
(1s,3s,3ar,5ar,9as,11ar)-1-acetyl-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-4,7,10-trione
7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl 2,3-dihydroxy-2-methylbutanoate
5-{2,7,10-trihydroxy-9a,11a-dimethyl-1h,2h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}pyran-2-one
(1r,2s,4s,7s,8s,9s,10r,11s,12s,13r,17r,18s)-8,10-dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.0²,¹³.0⁴,¹².0⁷,¹¹.0¹⁴,¹⁹]docosa-5,14(19)-dien-15-one
1-acetyl-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-4,7,10-trione
7-{[(2s,4as,6s)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
methyl (1's,2r,3'r,8'r,9'r)-9'-[(1s)-1-hydroxyethyl]-5-methoxy-3-oxo-1h-7'-azaspiro[indole-2,4'-tricyclo[5.3.1.0³,⁸]undecane]-3'-carboxylate
2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1h,2h,6h,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-6-yl 2-methylpropanoate
[4-(1,2-dihydroxytetradecylidene)-3,5-dioxooxolan-2-yl](hydroxy)acetic acid
(4as,5r,6s,8as)-3,4a-dimethyl-6-{[(2e)-2-methylbut-2-enoyl]oxy}-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-5-yl (2e)-2-methylbut-2-enoate
4-{[(5s,8s,9s,10r)-10-heptyl-8,9-dihydroxy-2-oxo-3,4,5,8,9,10-hexahydrooxecin-5-yl]oxy}-4-oxobutanoic acid
methyl 2-{6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate
(1s,4s,5r,9s,10s,13s,15r)-15-(but-3-enoyloxy)-5,9-dimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1r,2z,4s)-4-(acetyloxy)-2,5,5,9-tetramethylcycloundeca-2,9-dien-1-yl 4-hydroxybenzoate
3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
methyl 2-{2,5-dihydroxy-4-[(2e,6e)-3,7,11-trimethyl-9-oxododeca-2,6,10-trien-1-yl]phenyl}acetate
(2s,3r,4s,5s,6r)-2-({2-[(1r,4r,7r,10s)-10-hydroxy-7-methyl-11-oxatricyclo[5.3.1.0¹,⁶]undec-5-en-4-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (2z)-2-[(3r,6's,7's,8'ar)-6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
methyl (2e)-2-[(3s,6'r,7's,8'as)-6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
(1r,2s,4as,5s,7s)-7-hydroperoxy-5-hydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-1-yl (2e)-3-phenylprop-2-enoate
5-(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-{[(1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl]methoxy}-4-oxobutanoic acid
7-{[(1s,2r,4ar,6s,8as)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
methyl 9,14-dihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6-triene-10-carboxylate
16-acetyl-14,19-dihydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one
(3e,5r,8s,11e,13r,16s,18s)-5,13,16-trihydroxy-8-[(2s)-2-hydroxypropyl]-18-methyl-1,9-dioxacyclooctadeca-3,11-diene-2,10-dione
16-acetyl-9,14-dihydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one
methyl (12s,13s,15r,17s,19s)-19-hydroxy-13-[(1s)-1-hydroxyethyl]-4-methoxy-1,11-diazapentacyclo[13.3.1.0²,⁷.0⁸,¹⁸.0¹²,¹⁷]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
7-{[(1r,2s,4as,6s,8ar)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
(3s,3ar,3br,7as,8r,8ar)-3-hydroxy-3b,4,4,7a-tetramethyl-octahydroindeno[1,2-c]furan-8-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
methyl 18-hydroxy-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
methyl (2e)-2-[(6'r,7's)-6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
(1r,3as,3br,5as,7s,9ar,9bs,11ar)-3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
11-isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-2,6,9,11,12,13,14-heptol
5-[(1r,2s,4r,5s,6r,7r,10s,11s,14s,16r)-5,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-6-yl]pyran-2-one
2,4,5,6,8,12-hexahydroxy-4-isopropyl-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadecan-14-one
(1r,2r,4as,5r,6r,8ar)-6-(acetyloxy)-5-hydroxy-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl benzoate
(2r,6s,6as,10ar,10br)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1h,2h,6h,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-6-yl 2-methylpropanoate
5-{3a,7,11-trihydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}pyran-2-one
methyl (2e)-2-[(3s,6's,7's,8'as)-6'-ethyl-2,4-dihydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-3a,7-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
7-{[(1s,2r,4ar,6r,8ar)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
(6z,10e,12z,15z)-9-hydroxy-1-(2,4,6-trihydroxyphenyl)octadeca-6,10,12,15-tetraen-1-one
7-{[(1s,2r,4as,6s,8ar)-2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
6'-(hydroxymethyl)-4,5,5,10',12'-pentamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5',8'-tetraene-3,5'-diol
9-hydroxy-1-(2,4,6-trihydroxyphenyl)octadeca-6,10,12,15-tetraen-1-one
(9s)-4,5,14,15,16-pentamethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium
[C23H30NO5]+ (400.21238700000004)