Exact Mass: 400.21238700000004
Exact Mass Matches: 400.21238700000004
Found 500 metabolites which its exact mass value is equals to given mass value 400.21238700000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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)
Lucidone B
Lucidone B is found in mushrooms. Lucidone B is from Ganoderma lucidum (reishi
5alpha-Pregnan-3beta,20beta-diol 3-sulfate
C21H36O5S (400.22833260000004)
5alpha-Pregnan-3beta,20beta-diol 3-sulfate, also known as 5α-pregnan-3β,20β-diol sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3beta,20beta-diol 3-sulfate has been identified in the human placenta (PMID: 32033212).
5alpha-Pregnan-3beta,20beta-diol 20-sulfate
C21H36O5S (400.22833260000004)
5alpha-Pregnan-3beta,20beta-diol 20-sulfate, also known as 5α-pregnan-3β,20β-diol sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3beta,20beta-diol 20-sulfate has been identified in the human placenta (PMID: 32033212).
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
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.
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
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
(4aS)-8t-Hydroxy-1t-sulfooxy-2c.10at.12at-trimethyl-(4arH.4btH.6acH.10bcH)-octadecahydro-chrysen|17abeta-Sulfooxy-17alpha-methyl-D-homo-5alpha-androstanol-(3beta)|Schwefelsaeure-mono-(3beta-hydroxy-17alpha-methyl-D-homo-5alpha-androstanyl-(17abeta)-ester)|sulfuric acid mono-(3beta-hydroxy-17alpha-methyl-D-homo-5alpha-androstanyl-(17abeta)-ester)
C21H36O5S (400.22833260000004)
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
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
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
C22H28N2O5_Methyl (16Z)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate
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 Ile Pro Thr
C18H32N4O6 (400.23217320000003)
Ala Ile Thr Pro
C18H32N4O6 (400.23217320000003)
Ala Leu Pro Thr
C18H32N4O6 (400.23217320000003)
Ala Leu Thr Pro
C18H32N4O6 (400.23217320000003)
Ala Pro Asp Val
Ala Pro Ile Thr
C18H32N4O6 (400.23217320000003)
Ala Pro Leu Thr
C18H32N4O6 (400.23217320000003)
Ala Pro Thr Ile
C18H32N4O6 (400.23217320000003)
Ala Pro Thr Leu
C18H32N4O6 (400.23217320000003)
Ala Pro Val Asp
Ala Thr Ile Pro
C18H32N4O6 (400.23217320000003)
Ala Thr Leu Pro
C18H32N4O6 (400.23217320000003)
Ala Thr Pro Ile
C18H32N4O6 (400.23217320000003)
Ala Thr Pro Leu
C18H32N4O6 (400.23217320000003)
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
Asp Pro Gly Leu
Asp Pro Ile Gly
Asp Pro Leu Gly
Asp Pro Val Ala
Asp Val Ala Pro
Asp Val Pro Ala
Glu Gly Pro Val
Glu Gly Val Pro
Glu Pro Gly Val
Glu Pro Val Gly
Glu Val Gly Pro
Glu Val Pro Gly
Gly Asp Ile Pro
Gly Asp Leu Pro
Gly Asp Pro Ile
Gly Asp Pro Leu
Gly Glu Pro Val
Gly Glu Val Pro
Gly Ile Asp Pro
Gly Ile Pro Asp
Gly Leu Asp Pro
Gly Leu Pro Asp
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 Ala Pro Thr
C18H32N4O6 (400.23217320000003)
Ile Ala Thr Pro
C18H32N4O6 (400.23217320000003)
Ile Asp Gly Pro
Ile Asp Pro Gly
Ile Gly Asp Pro
Ile Gly Pro Asp
Ile Pro Ala Thr
C18H32N4O6 (400.23217320000003)
Ile Pro Asp Gly
Ile Pro Gly Asp
Ile Pro Thr Ala
C18H32N4O6 (400.23217320000003)
Ile Thr Ala Pro
C18H32N4O6 (400.23217320000003)
Ile Thr Pro Ala
C18H32N4O6 (400.23217320000003)
Leu Ala Pro Thr
C18H32N4O6 (400.23217320000003)
Leu Ala Thr Pro
C18H32N4O6 (400.23217320000003)
Leu Asp Gly Pro
Leu Asp Pro Gly
Leu Gly Asp Pro
Leu Gly Pro Asp
Leu Pro Ala Thr
C18H32N4O6 (400.23217320000003)
Leu Pro Asp Gly
Leu Pro Gly Asp
Leu Pro Thr Ala
C18H32N4O6 (400.23217320000003)
Leu Thr Ala Pro
C18H32N4O6 (400.23217320000003)
Leu Thr Pro Ala
C18H32N4O6 (400.23217320000003)
Pro Ala Asp Val
Pro Ala Ile Thr
C18H32N4O6 (400.23217320000003)
Pro Ala Leu Thr
C18H32N4O6 (400.23217320000003)
Pro Ala Thr Ile
C18H32N4O6 (400.23217320000003)
Pro Ala Thr Leu
C18H32N4O6 (400.23217320000003)
Pro Ala Val Asp
Pro Asp Ala Val
Pro Asp Gly Ile
Pro Asp Gly Leu
Pro Asp Ile Gly
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 Ala Thr
C18H32N4O6 (400.23217320000003)
Pro Ile Asp Gly
Pro Ile Gly Asp
Pro Ile Thr Ala
C18H32N4O6 (400.23217320000003)
Pro Leu Ala Thr
C18H32N4O6 (400.23217320000003)
Pro Leu Asp Gly
Pro Leu Gly Asp
Pro Leu Thr Ala
C18H32N4O6 (400.23217320000003)
Pro Pro Ser Thr
Pro Pro Thr Ser
Pro Ser Pro Thr
Pro Ser Thr Pro
Pro Ser Val Val
C18H32N4O6 (400.23217320000003)
Pro Thr Ala Ile
C18H32N4O6 (400.23217320000003)
Pro Thr Ala Leu
C18H32N4O6 (400.23217320000003)
Pro Thr Ile Ala
C18H32N4O6 (400.23217320000003)
Pro Thr Leu Ala
C18H32N4O6 (400.23217320000003)
Pro Thr Pro Ser
Pro Thr Ser Pro
Pro Val Ala Asp
Pro Val Asp Ala
Pro Val Glu Gly
Pro Val Gly Glu
Pro Val Ser Val
C18H32N4O6 (400.23217320000003)
Pro Val Val Ser
C18H32N4O6 (400.23217320000003)
Ser Pro Pro Thr
Ser Pro Thr Pro
Ser Pro Val Val
C18H32N4O6 (400.23217320000003)
Ser Thr Pro Pro
Ser Val Pro Val
C18H32N4O6 (400.23217320000003)
Ser Val Val Pro
C18H32N4O6 (400.23217320000003)
Thr Ala Ile Pro
C18H32N4O6 (400.23217320000003)
Thr Ala Leu Pro
C18H32N4O6 (400.23217320000003)
Thr Ala Pro Ile
C18H32N4O6 (400.23217320000003)
Thr Ala Pro Leu
C18H32N4O6 (400.23217320000003)
Thr Ile Ala Pro
C18H32N4O6 (400.23217320000003)
Thr Pro Pro Ser
Thr Pro Ser Pro
Thr Ser Pro Pro
Val Ala Asp Pro
Val Ala Pro Asp
Val Asp Ala Pro
Val Asp Pro Ala
Val Glu Gly Pro
Val Glu Pro Gly
Val Gly Glu Pro
Val Gly Pro Glu
Val Pro Ala Asp
Val Pro Asp Ala
Val Pro Glu Gly
Val Pro Gly Glu
Val Pro Val Ser
C18H32N4O6 (400.23217320000003)
Val Ser Pro Val
C18H32N4O6 (400.23217320000003)
Val Ser Val Pro
C18H32N4O6 (400.23217320000003)
Val Val Pro Ser
C18H32N4O6 (400.23217320000003)
Val Val Ser Pro
C18H32N4O6 (400.23217320000003)
Lucidone B
DNMPT
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
Pyrrolo3,4-cpyrrole-1,4-dione, 3,6-bis4-(1,1-dimethylethyl)phenyl-2,5-dihydro
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
(6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-1,4-dihydroxy-6-methyl-piperazine-2,5-dione
ethyl prop-2-enoate,2-methylidenehexanoic acid,methyl 2-methylprop-2-enoate,prop-2-enoic acid
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)
2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)pyridin-3-yl]phenyl]benzamide
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]-
5alpha-Pregnan-3beta,20beta-diol 20-sulfate
C21H36O5S (400.22833260000004)
(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
Ala-Leu-Thr-Pro
C18H32N4O6 (400.23217320000003)
A tetrapeptide composed of L-alanine, L-leucine, L-threonine, and L-proline units joined in sequence.
1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-oxolanylmethyl)thiourea
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)-7-[4-(4-cyanophenyl)phenyl]-N-cyclohexyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
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
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
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
(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
[(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
(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
1,5,12,16-tetrahydroxy-1,6,12,17-tetraazacyclodocosa-5,16-diene-2,13-dione
C18H32N4O6 (400.23217320000003)
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
(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
[3-hydroxy-5-(11-methyltetradecyl)phenyl]oxidanesulfonic acid
C21H36O5S (400.22833260000004)
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
(3-hydroxy-5-pentadecylphenyl)oxidanesulfonic acid
C21H36O5S (400.22833260000004)
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
[3-hydroxy-5-(13-methyltetradecyl)phenyl]oxidanesulfonic acid
C21H36O5S (400.22833260000004)
(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)